General Information of the Compound
| Compound ID |
CP0445307
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| Compound Name |
7-[[(1R,2S)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]oxymethyl]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H27Cl2N3O2
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| Molecular Weight |
460.405
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| Canonical SMILES |
Clc1cccc(N2CCN(C[C@@H]3C[C@H]3OCc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C24H27Cl2N3O2/c25-19-2-1-3-21(24(19)26)29-10-8-28(9-11-29)14-18-13-22(18)31-15-16-4-5-17-6-7-23(30)27-20(17)12-16/h1-5,12,18,22H,6-11,13-15H2,(H,27,30)/t18-,22+/m0/s1
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| InChIKey |
JNYBPHZJIUVHES-PGRDOPGGSA-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