canSAR734951
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
    InChI
    InChI=1S/C61H84N12O27S/c1-30(2)26-41(56(90)69-40(61(95)96)15-20-45(63)74)71-58(92)43(28-33-11-13-34(14-12-33)100-101(97,98)99)72-55(89)38(18-23-48(79)80)66-54(88)39(19-24-49(81)82)68-59(93)44-10-7-25-73(44)60(94)31(3)64-52(86)36(16-21-46(75)76)65-53(87)37(17-22-47(77)78)67-57(91)42(27-32-8-5-4-6-9-32)70-51(85)35(62)29-50(83)84/h4-6,8-9,11-14,30-31,35-44H,7,10,15-29,62H2,1-3H3,(H2,63,74)(H,64,86)(H,65,87)(H,66,88)(H,67,91)(H,68,93)(H,69,90)(H,70,85)(H,71,92)(H,72,89)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,95,96)(H,97,98,99)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C61H84N12O27S
    CROSS REFERENCES
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    canSAR734951
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1448.53
    AlogP-4.32
    HBond donors20
    HBond acceptors39
    Atoms185
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR734951.