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canSAR786003
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O
    InChI
    InChI=1S/C69H111N23O15S2/c1-5-39(4)55-64(104)87-47(20-13-29-80-69(76)77)65(105)92-30-14-21-52(92)63(103)86-44(17-9-10-26-70)58(98)88-48(31-38(2)3)60(100)90-51(66(106)107)37-109-108-36-50(62(102)85-45(18-11-27-78-67(72)73)57(97)84-46(59(99)91-55)19-12-28-79-68(74)75)89-61(101)49(33-40-15-7-6-8-16-40)83-54(95)35-81-53(94)34-82-56(96)43(71)32-41-22-24-42(93)25-23-41/h6-8,15-16,22-25,38-39,43-52,55,93H,5,9-14,17-21,26-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,102)(H,86,103)(H,87,104)(H,88,98)(H,89,101)(H,90,100)(H,91,99)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t39-,43-,44-,45+,46-,47-,48+,49-,50+,51+,52-,55+/m0/s1
    MOLECULAR FORMULA
    C69H111N23O15S2
    CROSS REFERENCES
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    canSAR786003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1565.81
    AlogP -5.05
    HBond donors 29
    HBond acceptors 38
    Atoms 220
    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 canSAR786003.