General Information of the Compound
| Compound ID |
CP0047894
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| Compound Name |
(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C23H23N5OS
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| Molecular Weight |
417.538
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| Canonical SMILES |
Cn1cc(cn1)-c1cccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)c1
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| InChI |
InChI=1S/C23H23N5OS/c1-28-14-19(12-26-28)18-8-5-9-20(11-18)27-23(29)22(10-17-6-3-2-4-7-17)24-13-21-15-30-16-25-21/h2-9,11-12,14-16,22,24H,10,13H2,1H3,(H,27,29)/t22-/m0/s1
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| InChIKey |
DNLKPQWMEAUUEV-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