General Information of the Compound
| Compound ID |
CP0495199
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| Compound Name |
5-Chloro-N-(1-quinolin-6-ylmethyl-piperidin-4-yl)-2-[(thiazol-2-ylmethyl)-amino]-benzamide
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| Structure |
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| Formula |
C26H26ClN5OS
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| Molecular Weight |
492.048
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| Canonical SMILES |
Clc1ccc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3ncccc3c2)CC1
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| InChI |
InChI=1S/C26H26ClN5OS/c27-20-4-6-24(30-16-25-29-10-13-34-25)22(15-20)26(33)31-21-7-11-32(12-8-21)17-18-3-5-23-19(14-18)2-1-9-28-23/h1-6,9-10,13-15,21,30H,7-8,11-12,16-17H2,(H,31,33)
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| InChIKey |
HCDOUMOHZABKDC-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