General Information of the Compound
| Compound ID |
CP0962380
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| Compound Name |
5-((4-((1s,4s)-4-(m-tolyl)cyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one
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| Formula |
C23H31N3O
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| Molecular Weight |
365.521
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| Canonical SMILES |
Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1
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| InChI |
InChI=1S/C23H31N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-5,10,15-16,20,22H,6-9,11-14,17H2,1H3,(H,24,27)/t20-,22+
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| InChIKey |
GNTPANYIJLPNBS-GRGXKFILSA-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