canSAR288695
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C55H81N15O14S/c1-5-29(2)46(70-44(73)27-61-49(78)31(4)63-54(83)40(24-33-25-60-35-16-10-9-15-34(33)35)64-43(72)26-62-50(79)41(28-85)69-48(77)30(3)57)55(84)67-36(17-11-12-22-56)51(80)65-37(18-20-42(58)71)52(81)66-38(19-21-45(74)75)53(82)68-39(47(59)76)23-32-13-7-6-8-14-32/h6-10,13-16,25,29-31,36-41,46,60,85H,5,11-12,17-24,26-28,56-57H2,1-4H3,(H2,58,71)(H2,59,76)(H,61,78)(H,62,79)(H,63,83)(H,64,72)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,77)(H,70,73)(H,74,75)/t29-,30-,31-,36-,37-,38-,39-,40-,41-,46-/m0/s1
    MOLECULAR FORMULA
    C55H81N15O14S
    CROSS REFERENCES
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    canSAR288695
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1207.58
    AlogP-3.85
    HBond donors20
    HBond acceptors29
    Atoms166
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR288695.