General Information of the Compound
| Compound ID |
CP0548267
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| Compound Name |
N-[(3R,4S)-2,3-dihydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC(O)[C@@H]1O
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| InChI |
InChI=1S/C22H24N4O4/c1-14-13-23-19(21(28)25-18-7-10-30-22(29)20(18)27)12-16(14)11-15-3-5-17(6-4-15)26-9-2-8-24-26/h2-6,8-9,12-13,18,20,22,27,29H,7,10-11H2,1H3,(H,25,28)/t18-,20+,22?/m0/s1
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| InChIKey |
ZCWXFCFJOFCIHO-RUYIAYPLSA-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