349750 logo
canSAR349750
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C
    InChI
    InChI=1S/C188H302ClN57O50S2/c1-24-99(18)152(246-167(277)120(51-56-147(259)260)222-181(291)137(86-247)241-154(264)100(19)71-109(189)101(20)193)186(296)226-117(48-53-140(195)250)162(272)229-125(68-93(6)7)170(280)223-122(58-65-298-23)165(275)235-131(75-106-83-205-89-212-106)174(284)237-133(77-141(196)251)176(286)227-123(66-91(2)3)155(265)210-85-144(254)215-111(42-30-33-59-190)156(266)234-130(74-105-82-204-88-211-105)173(283)231-127(70-95(10)11)171(281)236-135(79-143(198)253)178(288)242-138(87-248)182(292)224-121(57-64-297-22)164(274)220-118(49-54-145(255)256)160(270)218-115(46-37-63-208-188(202)203)166(276)243-150(97(14)15)184(294)225-119(50-55-146(257)258)163(273)233-129(73-104-81-209-110-41-29-28-40-108(104)110)172(282)230-126(69-94(8)9)168(278)219-114(45-36-62-207-187(200)201)158(268)216-112(43-31-34-60-191)157(267)217-113(44-32-35-61-192)159(269)228-124(67-92(4)5)169(279)221-116(47-52-139(194)249)161(271)239-136(80-148(261)262)180(290)245-151(98(16)17)185(295)240-132(76-107-84-206-90-213-107)175(285)238-134(78-142(197)252)177(287)232-128(72-103-38-26-25-27-39-103)179(289)244-149(96(12)13)183(293)214-102(21)153(199)263/h25-29,38-41,71,81-84,88-102,111-138,149-152,209,247-248H,24,30-37,42-70,72-80,85-87,190-193H2,1-23H3,(H2,194,249)(H2,195,250)(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,263)(H,204,211)(H,205,212)(H,206,213)(H,210,265)(H,214,293)(H,215,254)(H,216,268)(H,217,267)(H,218,270)(H,219,278)(H,220,274)(H,221,279)(H,222,291)(H,223,280)(H,224,292)(H,225,294)(H,226,296)(H,227,286)(H,228,269)(H,229,272)(H,230,282)(H,231,283)(H,232,287)(H,233,273)(H,234,266)(H,235,275)(H,236,281)(H,237,284)(H,238,285)(H,239,271)(H,240,295)(H,241,264)(H,242,288)(H,243,276)(H,244,289)(H,245,290)(H,246,277)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H4,200,201,207)(H4,202,203,208)/b109-71-/t99-,100+,101-,102-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,149-,150-,151-,152-/m0/s1
    MOLECULAR FORMULA
    C188H302ClN57O50S2
    CROSS REFERENCES
    349750 logo

    canSAR349750

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4257.20
    AlogP -13.97
    HBond donors 72
    HBond acceptors 107
    Atoms 600
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR349750.