General Information of the Compound
| Compound ID |
CP0301279
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| Compound Name |
(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C24H22N4OS
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| Molecular Weight |
414.534
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cscn1
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| InChI |
InChI=1S/C24H22N4OS/c29-24(28-21-8-4-7-20(14-21)19-9-11-25-12-10-19)23(13-18-5-2-1-3-6-18)26-15-22-16-30-17-27-22/h1-12,14,16-17,23,26H,13,15H2,(H,28,29)/t23-/m0/s1
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| InChIKey |
FPOTYKVBBGYCQW-QHCPKHFHSA-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