General Information of the Compound
| Compound ID |
CP0331814
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| Compound Name |
(2S)-N-[3-(2-aminopyridin-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C24H23N5OS
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| Molecular Weight |
429.549
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| Canonical SMILES |
Nc1cc(ccn1)-c1cccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)c1
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| InChI |
InChI=1S/C24H23N5OS/c25-23-13-19(9-10-26-23)18-7-4-8-20(12-18)29-24(30)22(11-17-5-2-1-3-6-17)27-14-21-15-31-16-28-21/h1-10,12-13,15-16,22,27H,11,14H2,(H2,25,26)(H,29,30)/t22-/m0/s1
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| InChIKey |
OLWPDQUBMRWMIJ-QFIPXVFZSA-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