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canSAR835699
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O
    InChI
    InChI=1S/C69H93N19O17S2/c1-37(2)25-47-62(99)82-46(26-42-19-21-44(91)22-20-42)58(95)68(105)88-24-12-18-53(88)66(103)85-51(59(70)96)34-106-107-35-52(86-63(100)49(28-41-15-9-6-10-16-41)84-61(98)45(79-39(4)90)17-11-23-74-69(71)72)65(102)87-57(38(3)89)67(104)77-33-56(94)81-50(29-43-30-73-36-78-43)64(101)83-48(27-40-13-7-5-8-14-40)60(97)76-31-54(92)75-32-55(93)80-47/h5-10,13-16,19-22,30,36-38,45-53,57,89,91H,11-12,17-18,23-29,31-35H2,1-4H3,(H2,70,96)(H,73,78)(H,75,92)(H,76,97)(H,77,104)(H,79,90)(H,80,93)(H,81,94)(H,82,99)(H,83,101)(H,84,98)(H,85,103)(H,86,100)(H,87,102)(H4,71,72,74)/t38-,45+,46+,47+,48+,49+,50+,51+,52+,53+,57+/m1/s1
    MOLECULAR FORMULA
    C69H93N19O17S2
    CROSS REFERENCES
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    canSAR835699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1523.64
    AlogP -4.75
    HBond donors 21
    HBond acceptors 36
    Atoms 200
    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 canSAR835699.