General Information of the Compound
| Compound ID |
CP0865177
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| Compound Name |
cis-5-(5-(2-chlorophenyl)thiophen-2-yl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C21H25ClN2OS
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| Molecular Weight |
388.964
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| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2Cl)s1
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| InChI |
InChI=1S/C21H25ClN2OS/c1-23-18(13-15(21(23)25)14-24-11-5-2-6-12-24)20-10-9-19(26-20)16-7-3-4-8-17(16)22/h3-4,7-10,15,18H,2,5-6,11-14H2,1H3/t15-,18+/m1/s1
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| InChIKey |
DRFXZEZXYSHHAQ-QAPCUYQASA-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