General Information of the Compound
| Compound ID |
CP0249490
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| Compound Name |
(2S)-N-[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
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| Structure |
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| Formula |
C23H25N7OS
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| Molecular Weight |
447.568
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| Canonical SMILES |
CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cncs2)n(C)n1
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| InChI |
InChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1
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| InChIKey |
SVSIQPATYGZVGT-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