canSAR150359
FEATURES
Loading...
NAMES
    SMILES
    CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)C(N)=O
    InChI
    InChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-42(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-70-39)73-49(83)28-69-63(100)55(36(3)4)78-57(94)37(5)71-60(97)46(24-38-26-68-41-12-8-7-11-40(38)41)77-59(96)44(14-15-48(65)82)75-58(95)43(13-9-10-17-64)72-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11-12,26-27,34-37,42-47,55,68H,9-10,13-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,70)(H,69,100)(H,71,97)(H,72,84)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)
    MOLECULAR FORMULA
    C63H98N18O19S
    CROSS REFERENCES
    Loading...
    canSAR150359
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1442.70
    AlogP-4.73
    HBond donors21
    HBond acceptors37
    Atoms199
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR150359.