General Information of the Compound
| Compound ID |
CP0440516
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| Compound Name |
(S)-4-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5dihydro-1H-pyrrole-1-carboxamide
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| Structure |
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| Formula |
C24H27F2N3O2
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| Molecular Weight |
427.495
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| Canonical SMILES |
CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
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| InChI |
InChI=1S/C24H27F2N3O2/c1-28(20-9-11-27-12-10-20)23(31)29-15-17(21-13-19(25)7-8-22(21)26)14-24(29,16-30)18-5-3-2-4-6-18/h2-8,13-14,20,27,30H,9-12,15-16H2,1H3/t24-/m1/s1
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| InChIKey |
VZBXWCRSKIZNLD-XMMPIXPASA-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