467125 logo
canSAR467125
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C183H274N58O28/c1-105(2)78-137(232-167(258)138(79-106(3)4)231-165(256)135(67-43-77-208-183(199)200)222-160(251)133(65-41-75-206-181(195)196)227-174(265)145(87-114-93-209-124-56-26-23-52-120(114)124)229-155(246)123(189)55-39-73-204-179(191)192)166(257)223-127(59-29-34-68-184)157(248)219-129(61-31-36-70-186)162(253)230-139(80-107(5)6)170(261)240-150(92-119-98-203-104-217-119)178(269)241-149(91-118-97-202-103-216-118)177(268)234-140(81-108(7)8)168(259)233-141(82-109(9)10)169(260)239-148(90-117-96-201-102-215-117)156(247)214-100-152(243)212-99-151(242)213-101-153(244)218-142(84-111-46-17-12-18-47-111)171(262)224-128(60-30-35-69-185)158(249)220-130(62-32-37-71-187)163(254)235-144(86-113-50-21-14-22-51-113)173(264)238-146(88-115-94-210-125-57-27-24-53-121(115)125)175(266)225-131(63-33-38-72-188)164(255)237-147(89-116-95-211-126-58-28-25-54-122(116)126)176(267)236-143(85-112-48-19-13-20-49-112)172(263)226-132(64-40-74-205-180(193)194)159(250)221-134(66-42-76-207-182(197)198)161(252)228-136(154(190)245)83-110-44-15-11-16-45-110/h11-28,44-54,56-58,93-98,102-109,123,127-150,209-211H,29-43,55,59-92,99-101,184-189H2,1-10H3,(H2,190,245)(H,201,215)(H,202,216)(H,203,217)(H,212,243)(H,213,242)(H,214,247)(H,218,244)(H,219,248)(H,220,249)(H,221,250)(H,222,251)(H,223,257)(H,224,262)(H,225,266)(H,226,263)(H,227,265)(H,228,252)(H,229,246)(H,230,253)(H,231,256)(H,232,258)(H,233,259)(H,234,268)(H,235,254)(H,236,267)(H,237,255)(H,238,264)(H,239,260)(H,240,261)(H,241,269)(H4,191,192,204)(H4,193,194,205)(H4,195,196,206)(H4,197,198,207)(H4,199,200,208)/t123-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-/m0/s1
    MOLECULAR FORMULA
    C183H274N58O28
    CROSS REFERENCES
    467125 logo

    canSAR467125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3732.18
    AlogP -3.99
    HBond donors 67
    HBond acceptors 86
    Atoms 543
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR467125.