General Information of the Compound
| Compound ID |
CP0369079
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| Compound Name |
(2S)-N-(2-methyl-5-pyridin-4-ylpyrazol-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
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| Structure |
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| Formula |
C22H22N6OS
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| Molecular Weight |
418.526
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| Canonical SMILES |
Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1
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| InChI |
InChI=1S/C22H22N6OS/c1-28-21(12-19(27-28)17-7-9-23-10-8-17)26-22(29)20(11-16-5-3-2-4-6-16)25-14-18-13-24-15-30-18/h2-10,12-13,15,20,25H,11,14H2,1H3,(H,26,29)/t20-/m0/s1
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| InChIKey |
GDJKIMJXIWQQCF-FQEVSTJZSA-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