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canSAR831862
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O
    InChI
    InChI=1S/C69H102N20O10/c1-5-40(4)58(66(97)85-54(67(98)99)25-13-15-29-71)89-62(93)51(24-12-14-28-70)83-64(95)56(34-42-37-80-49-22-10-7-19-45(42)49)88-65(96)57(35-43-38-81-50-23-11-8-20-46(43)50)87-61(92)53(27-17-31-78-69(75)76)84-63(94)55(33-41-36-79-48-21-9-6-18-44(41)48)86-60(91)52(26-16-30-77-68(73)74)82-59(90)47(72)32-39(2)3/h6-11,18-23,36-40,47,51-58,79-81H,5,12-17,24-35,70-72H2,1-4H3,(H,82,90)(H,83,95)(H,84,94)(H,85,97)(H,86,91)(H,87,92)(H,88,96)(H,89,93)(H,98,99)(H4,73,74,77)(H4,75,76,78)/t40-,47-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
    MOLECULAR FORMULA
    C69H102N20O10
    CROSS REFERENCES
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    canSAR831862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1370.81
    AlogP 1.33
    HBond donors 26
    HBond acceptors 30
    Atoms 201
    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 canSAR831862.