canSAR2061527
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCC(=O)N2)CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
    InChI
    InChI=1S/C60H83N17O13/c1-33(2)24-42(51(83)70-41(12-8-22-65-59(62)63)57(89)77-23-9-13-47(77)56(88)67-30-48(61)80)75-58(90)60(20-6-3-7-21-60)76-55(87)43(25-34-14-16-37(79)17-15-34)71-54(86)46(31-78)74-52(84)44(26-35-28-66-39-11-5-4-10-38(35)39)72-53(85)45(27-36-29-64-32-68-36)73-50(82)40-18-19-49(81)69-40/h4-5,10-11,14-17,28-29,32-33,40-47,66,78-79H,3,6-9,12-13,18-27,30-31H2,1-2H3,(H2,61,80)(H,64,68)(H,67,88)(H,69,81)(H,70,83)(H,71,86)(H,72,85)(H,73,82)(H,74,84)(H,75,90)(H,76,87)(H4,62,63,65)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
    MOLECULAR FORMULA
    C60H83N17O13
    CROSS REFERENCES
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    canSAR2061527
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1249.64
    AlogP-2.47
    HBond donors19
    HBond acceptors30
    Atoms173
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061527.