General Information of the Compound
| Compound ID |
CP0148551
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| Compound Name |
cyclopropyl-[4-[6-fluoro-4-(4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C29H31FN4O2
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| Molecular Weight |
486.591
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(CC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C29H31FN4O2/c30-23-8-9-26-24(18-23)27(32-12-10-21(11-13-32)20-4-2-1-3-5-20)25(19-31-26)29(36)34-16-14-33(15-17-34)28(35)22-6-7-22/h1-5,8-9,18-19,21-22H,6-7,10-17H2
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| InChIKey |
INXXRSNYXBXNJI-UHFFFAOYSA-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