General Information of the Compound
| Compound ID |
CP0490786
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[4-(furan-2-yl)pyrimidin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H21ClF2N4O2
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| Molecular Weight |
446.885
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2nccc(n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C22H21ClF2N4O2/c23-16-12-15(3-4-17(16)24)21(30)29-9-6-22(25,7-10-29)14-26-13-20-27-8-5-18(28-20)19-2-1-11-31-19/h1-5,8,11-12,26H,6-7,9-10,13-14H2
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| InChIKey |
JTBLAGDPFZXZCX-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