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canSAR1443886
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N
    InChI
    InChI=1S/C64H99N17O14S/c1-38(2)34-46(57(88)77-45(28-33-96-4)63(94)95-3)73-53(84)37-72-54(85)47(35-39-16-7-5-8-17-39)78-58(89)48(36-40-18-9-6-10-19-40)79-56(87)42(24-26-51(67)82)74-55(86)43(25-27-52(68)83)75-59(90)50-23-15-32-81(50)62(93)44(21-11-12-29-65)76-60(91)49-22-14-31-80(49)61(92)41(66)20-13-30-71-64(69)70/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,82)(H2,68,83)(H,72,85)(H,73,84)(H,74,86)(H,75,90)(H,76,91)(H,77,88)(H,78,89)(H,79,87)(H4,69,70,71)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50?/m0/s1
    MOLECULAR FORMULA
    C64H99N17O14S
    CROSS REFERENCES
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    canSAR1443886

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1361.73
    AlogP -3.02
    HBond donors 20
    HBond acceptors 31
    Atoms 195
    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 canSAR1443886.