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canSAR1143497
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
    InChI
    InChI=1S/C62H86N16O12/c1-37(2)33-48(57(86)75-47(23-15-31-70-62(64)65)61(90)78-32-16-24-51(78)60(89)71-38(3)52(63)81)76-56(85)46(22-10-14-30-69-54(83)44-20-8-12-28-67-44)73-55(84)45(21-9-13-29-68-53(82)43-19-7-11-27-66-43)74-59(88)50(36-79)77-58(87)49(72-39(4)80)35-40-25-26-41-17-5-6-18-42(41)34-40/h5-8,11-12,17-20,25-28,34,37-38,45-51,79H,9-10,13-16,21-24,29-33,35-36H2,1-4H3,(H2,63,81)(H,68,82)(H,69,83)(H,71,89)(H,72,80)(H,73,84)(H,74,88)(H,75,86)(H,76,85)(H,77,87)(H4,64,65,70)/t38-,45+,46-,47+,48+,49-,50+,51+/m1/s1
    MOLECULAR FORMULA
    C62H86N16O12
    CROSS REFERENCES
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    canSAR1143497

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1246.66
    AlogP -0.63
    HBond donors 16
    HBond acceptors 28
    Atoms 176
    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 canSAR1143497.