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canSAR828585
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C67H102N22O10/c1-3-39(2)55(89-60(94)51(28-17-33-79-67(75)76)84-62(96)53(35-41-37-80-46-23-9-7-20-43(41)46)86-56(90)45(70)22-15-31-77-65(71)72)63(97)85-49(26-12-14-30-69)58(92)87-52(34-40-18-5-4-6-19-40)61(95)83-48(25-11-13-29-68)57(91)82-50(27-16-32-78-66(73)74)59(93)88-54(64(98)99)36-42-38-81-47-24-10-8-21-44(42)47/h4-10,18-21,23-24,37-39,45,48-55,80-81H,3,11-17,22,25-36,68-70H2,1-2H3,(H,82,91)(H,83,95)(H,84,96)(H,85,97)(H,86,90)(H,87,92)(H,88,93)(H,89,94)(H,98,99)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39-,45-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
    MOLECULAR FORMULA
    C67H102N22O10
    CROSS REFERENCES
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    canSAR828585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1374.81
    AlogP -0.94
    HBond donors 29
    HBond acceptors 32
    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 canSAR828585.