General Information of the Compound
| Compound ID |
CP0502170
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| Compound Name |
(S)-1-(naphthalen-2-ylsulfonyl)-N-(piperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H25N3O3S
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| Molecular Weight |
387.505
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| Canonical SMILES |
O=C(NC1CCNCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C20H25N3O3S/c24-20(22-17-9-11-21-12-10-17)19-6-3-13-23(19)27(25,26)18-8-7-15-4-1-2-5-16(15)14-18/h1-2,4-5,7-8,14,17,19,21H,3,6,9-13H2,(H,22,24)/t19-/m0/s1
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| InChIKey |
VXCKDQUEDNRBHX-IBGZPJMESA-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