General Information of the Compound
| Compound ID |
CP0512003
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| Compound Name |
(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
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| Formula |
C21H25ClN4O
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| Molecular Weight |
384.911
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| Canonical SMILES |
CN1CCN(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H25ClN4O/c1-16-5-3-4-6-18(16)24-10-12-25(13-11-24)21(27)26-14-9-23(2)20-15-17(22)7-8-19(20)26/h3-8,15H,9-14H2,1-2H3
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| InChIKey |
KYXSSDCFALOZSR-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