General Information of the Compound
| Compound ID |
CP0476872
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| Compound Name |
(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C26H25N5O2S
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| Molecular Weight |
471.586
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| Canonical SMILES |
Cc1nc(cs1)C1(CC1)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
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| InChI |
InChI=1S/C26H25N5O2S/c1-17-29-23(16-34-17)26(9-10-26)31-22(13-18-5-3-2-4-6-18)25(33)30-21-14-20(15-28-24(21)32)19-7-11-27-12-8-19/h2-8,11-12,14-16,22,31H,9-10,13H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1
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| InChIKey |
AULGPOMNVKYHNM-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