General Information of the Compound
| Compound ID |
CP0474196
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| Compound Name |
4-(4-fluoro-2-methylsulfonylphenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C33H44FN7O4S
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| Molecular Weight |
653.825
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccc(F)cc2S(C)(=O)=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H44FN7O4S/c1-23-18-24(19-25-22-35-37-31(23)25)20-28(32(42)40-12-8-27(9-13-40)38-10-4-3-5-11-38)36-33(43)41-16-14-39(15-17-41)29-7-6-26(34)21-30(29)46(2,44)45/h6-7,18-19,21-22,27-28H,3-5,8-17,20H2,1-2H3,(H,35,37)(H,36,43)/t28-/m1/s1
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| InChIKey |
PUDWWLBDGGKILV-MUUNZHRXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound