General Information of the Compound
| Compound ID |
CP0438956
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| Compound Name |
2-(4-chloro-1,3-thiazol-2-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C15H16ClN3OS
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| Molecular Weight |
321.833
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| Canonical SMILES |
Clc1csc(n1)-c1ccccc1C(=O)NCC1CCCN1
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| InChI |
InChI=1S/C15H16ClN3OS/c16-13-9-21-15(19-13)12-6-2-1-5-11(12)14(20)18-8-10-4-3-7-17-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,18,20)
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| InChIKey |
SRJQVRFULWVVSK-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