General Information of the Compound
| Compound ID |
CP0482423
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| Compound Name |
2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H23N5OS
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| Molecular Weight |
405.527
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C22H23N5OS/c28-21(24-18-7-3-4-8-20(18)26-11-9-23-10-12-26)19-15-29-22(25-19)27-13-16-5-1-2-6-17(16)14-27/h1-8,15,23H,9-14H2,(H,24,28)
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| InChIKey |
CKHGPVKZNGZVBM-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