834292 logo
canSAR834292
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)NCCNCCNC(=O)CNC(=O)[C@@H]2CSSC(C)(C)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C(=O)N3CCC[C@H]3C(=O)N2)CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)N1C
    InChI
    InChI=1S/C150H211N41O34S4/c1-83(2)59-111-139(218)174-99(61-91-43-47-95(194)48-44-91)123(204)145(224)190-57-29-41-109(190)137(216)180-107(79-226-228-149(7,8)125(184-135(214)103(65-89-35-23-17-24-36-89)176-127(206)97(151)39-27-51-162-147(153)154)143(222)182-121(85(5)192)141(220)166-73-115(198)172-105(67-93-69-158-81-170-93)133(212)178-101(63-87-31-19-15-20-32-87)129(208)168-75-117(200)186(11)77-119(202)188(111)13)131(210)164-71-113(196)160-55-53-157-54-56-161-114(197)72-165-132(211)108-80-227-229-150(9,10)126(185-136(215)104(66-90-37-25-18-26-38-90)177-128(207)98(152)40-28-52-163-148(155)156)144(223)183-122(86(6)193)142(221)167-74-116(199)173-106(68-94-70-159-82-171-94)134(213)179-102(64-88-33-21-16-22-34-88)130(209)169-76-118(201)187(12)78-120(203)189(14)112(60-84(3)4)140(219)175-100(62-92-45-49-96(195)50-46-92)124(205)146(225)191-58-30-42-110(191)138(217)181-108/h15-26,31-38,43-50,69-70,81-86,97-112,121-122,125-126,157,192-195H,27-30,39-42,51-68,71-80,151-152H2,1-14H3,(H,158,170)(H,159,171)(H,160,196)(H,161,197)(H,164,210)(H,165,211)(H,166,220)(H,167,221)(H,168,208)(H,169,209)(H,172,198)(H,173,199)(H,174,218)(H,175,219)(H,176,206)(H,177,207)(H,178,212)(H,179,213)(H,180,216)(H,181,217)(H,182,222)(H,183,223)(H,184,214)(H,185,215)(H4,153,154,162)(H4,155,156,163)/t85-,86-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,121+,122+,125-,126-/m1/s1
    MOLECULAR FORMULA
    C150H211N41O34S4
    CROSS REFERENCES
    834292 logo

    canSAR834292

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3258.49
    AlogP -8.84
    HBond donors 41
    HBond acceptors 75
    Atoms 440
    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 canSAR834292.