General Information of the Compound
| Compound ID |
CP0566222
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
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| Formula |
C21H22N4O3
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| Molecular Weight |
378.432
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| Canonical SMILES |
O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-n2cccn2)ccn1
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| InChI |
InChI=1S/C21H22N4O3/c26-20-14-28-11-7-18(20)24-21(27)19-13-16(6-9-22-19)12-15-2-4-17(5-3-15)25-10-1-8-23-25/h1-6,8-10,13,18,20,26H,7,11-12,14H2,(H,24,27)/t18-,20-/m0/s1
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| InChIKey |
GEIWYSYEKRVIQX-ICSRJNTNSA-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