General Information of the Compound
| Compound ID |
CP0433815
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| Compound Name |
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H23N7OS
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| Molecular Weight |
445.552
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(n[nH]2)-c2ccccc2)n1
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| InChI |
InChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29)
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| InChIKey |
LGNXDJXJRVGNAT-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