General Information of the Compound
| Compound ID |
CP0515722
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| Compound Name |
N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Structure |
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| Formula |
C22H19ClN4OS
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| Molecular Weight |
422.941
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| Canonical SMILES |
Clc1cccc(c1)-c1nc(CNC(=O)CCCc2ccc3cccnc3n2)cs1
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| InChI |
InChI=1S/C22H19ClN4OS/c23-17-6-1-4-16(12-17)22-27-19(14-29-22)13-25-20(28)8-2-7-18-10-9-15-5-3-11-24-21(15)26-18/h1,3-6,9-12,14H,2,7-8,13H2,(H,25,28)
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| InChIKey |
CTOCOMPBYTZWOK-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