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canSAR1130912
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1
    InChI
    InChI=1S/C63H88N14O12/c1-7-66-59(86)51-20-14-28-77(51)62(89)44(19-13-27-67-63(64)65)70-54(81)46(29-36(2)3)71-55(82)47(30-37(4)5)72-56(83)48(31-39-21-23-41(79)24-22-39)73-58(85)50(35-78)75-57(84)49(33-40-34-68-43-18-12-11-17-42(40)43)74-60(87)52(32-38-15-9-8-10-16-38)76(6)61(88)45-25-26-53(80)69-45/h8-12,15-18,21-24,34,36-37,44-52,68,78-79H,7,13-14,19-20,25-33,35H2,1-6H3,(H,66,86)(H,69,80)(H,70,81)(H,71,82)(H,72,83)(H,73,85)(H,74,87)(H,75,84)(H4,64,65,67)/t44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
    MOLECULAR FORMULA
    C63H88N14O12
    CROSS REFERENCES
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    canSAR1130912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1232.67
    AlogP 0.18
    HBond donors 15
    HBond acceptors 26
    Atoms 177
    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 canSAR1130912.