General Information of the Compound
| Compound ID |
CP0495198
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| Compound Name |
5-Chloro-N-(1-naphthalen-2-ylmethyl-piperidin-4-yl)-2-[(thiazol-2-ylmethyl)-amino]-benzamide
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| Structure |
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| Formula |
C27H27ClN4OS
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| Molecular Weight |
491.06
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| Canonical SMILES |
Clc1ccc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C27H27ClN4OS/c28-22-7-8-25(30-17-26-29-11-14-34-26)24(16-22)27(33)31-23-9-12-32(13-10-23)18-19-5-6-20-3-1-2-4-21(20)15-19/h1-8,11,14-16,23,30H,9-10,12-13,17-18H2,(H,31,33)
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| InChIKey |
QXOVDVVHABLTCE-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