General Information of the Compound
| Compound ID |
CP0316147
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H40N4O2
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| Molecular Weight |
440.632
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1
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| InChIKey |
YYAXFDUSWODWGA-WPFOTENUSA-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