General Information of the Compound
| Compound ID |
CP0865170
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| Compound Name |
cis-5-(5-(2-chlorophenyl)-4-methylthiophen-2-yl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C22H27ClN2OS
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| Molecular Weight |
402.991
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| Canonical SMILES |
Cc1cc([C@@H]2C[C@H](CN3CCCCC3)C(=O)N2C)sc1-c1ccccc1Cl
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| InChI |
InChI=1S/C22H27ClN2OS/c1-15-12-20(27-21(15)17-8-4-5-9-18(17)23)19-13-16(22(26)24(19)2)14-25-10-6-3-7-11-25/h4-5,8-9,12,16,19H,3,6-7,10-11,13-14H2,1-2H3/t16-,19+/m1/s1
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| InChIKey |
KBMKEQNMFXTFMO-APWZRJJASA-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