1144736 logo
canSAR1144736
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCC4CCCCC4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
    InChI
    InChI=1S/C134H214N38O32S6/c1-68(2)49-86-111(182)146-59-105(178)151-82(32-24-44-144-133(139)140)113(184)166-96-62-206-205-48-42-104(177)152-94(57-103(137)176)123(194)160-90(53-72(9)10)119(190)162-93(56-80-58-143-67-148-80)122(193)161-91(54-78-29-20-17-21-30-78)120(191)169-99-65-209-207-63-97(168-121(192)92(55-79-35-37-81(38-36-79)204-47-41-77-27-18-16-19-28-77)163-131(202)108(76(15)174)171-130(201)101-34-26-46-172(101)132(203)75(14)150-126(96)197)125(196)149-74(13)110(181)165-100(129(200)170-107(73(11)12)109(138)180)66-210-208-64-98(167-115(186)84(33-25-45-145-134(141)142)154-118(189)89(52-71(7)8)159-116(187)85(156-128(99)199)39-40-102(136)175)127(198)155-83(31-22-23-43-135)114(185)164-95(61-173)124(195)158-87(50-69(3)4)112(183)147-60-106(179)153-88(51-70(5)6)117(188)157-86/h17,20-21,29-30,35-38,58,67-77,82-101,107-108,173-174H,16,18-19,22-28,31-34,39-57,59-66,135H2,1-15H3,(H2,136,175)(H2,137,176)(H2,138,180)(H,143,148)(H,146,182)(H,147,183)(H,149,196)(H,150,197)(H,151,178)(H,152,177)(H,153,179)(H,154,189)(H,155,198)(H,156,199)(H,157,188)(H,158,195)(H,159,187)(H,160,194)(H,161,193)(H,162,190)(H,163,202)(H,164,185)(H,165,181)(H,166,184)(H,167,186)(H,168,192)(H,169,191)(H,170,200)(H,171,201)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,107-,108-/m0/s1
    MOLECULAR FORMULA
    C134H214N38O32S6
    CROSS REFERENCES
    1144736 logo

    canSAR1144736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3059.46
    AlogP -6.68
    HBond donors 44
    HBond acceptors 70
    Atoms 424
    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 canSAR1144736.