General Information of the Compound
| Compound ID |
CP0489657
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(3-fluoro-4-(pyridin-4-yl)phenyl)methanone
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| Structure |
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| Formula |
C26H23FN4O2
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| Molecular Weight |
442.494
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(c(F)c1)-c1ccncc1
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| InChI |
InChI=1S/C26H23FN4O2/c1-17-16-30(12-13-31(17)26(33)21-3-2-19-8-11-29-24(19)15-21)25(32)20-4-5-22(23(27)14-20)18-6-9-28-10-7-18/h2-11,14-15,17,29H,12-13,16H2,1H3/t17-/m0/s1
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| InChIKey |
XOLPBWFHVUUEEH-KRWDZBQOSA-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