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canSAR778210
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CN(CCCCN)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)O)NC1=O
    InChI
    InChI=1S/C67H106N18O19S2/c1-6-36(3)52-61(98)78-44(57(94)75-41(29-39-17-9-8-10-18-39)62(99)83-26-14-20-46(83)59(96)76-42(66(103)104)30-51(90)91)34-105-106-35-45(77-55(92)40(73-49(88)31-69)19-13-24-72-67(70)71)58(95)81-54(38(5)87)64(101)82(25-12-11-23-68)32-50(89)74-43(33-86)56(93)80-53(37(4)7-2)65(102)85-28-16-22-48(85)63(100)84-27-15-21-47(84)60(97)79-52/h8-10,17-18,36-38,40-48,52-54,86-87H,6-7,11-16,19-35,68-69H2,1-5H3,(H,73,88)(H,74,89)(H,75,94)(H,76,96)(H,77,92)(H,78,98)(H,79,97)(H,80,93)(H,81,95)(H,90,91)(H,103,104)(H4,70,71,72)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-,54-/m0/s1
    MOLECULAR FORMULA
    C67H106N18O19S2
    CROSS REFERENCES
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    canSAR778210

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1530.73
    AlogP -5.23
    HBond donors 21
    HBond acceptors 37
    Atoms 212
    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 canSAR778210.