General Information of the Compound
| Compound ID |
CP0538728
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(4-hydroxypyrazol-1-yl)phenyl]methyl]-5-methylpyridine-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)-n1cc(O)cn1)C(=O)N[C@H]1CCOC[C@@H]1O
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| InChI |
InChI=1S/C22H24N4O4/c1-14-10-23-20(22(29)25-19-6-7-30-13-21(19)28)9-16(14)8-15-2-4-17(5-3-15)26-12-18(27)11-24-26/h2-5,9-12,19,21,27-28H,6-8,13H2,1H3,(H,25,29)/t19-,21-/m0/s1
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| InChIKey |
SKJLIJHJPLPHNB-FPOVZHCZSA-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