General Information of the Compound
| Compound ID |
CP0416842
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| Compound Name |
5-(hydroxymethyl)-N-[(3R,4S)-3-hydroxyoxan-4-yl]-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 |
OCc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O
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| InChI |
InChI=1S/C22H24N4O4/c27-13-17-12-23-20(22(29)25-19-6-9-30-14-21(19)28)11-16(17)10-15-2-4-18(5-3-15)26-8-1-7-24-26/h1-5,7-8,11-12,19,21,27-28H,6,9-10,13-14H2,(H,25,29)/t19-,21-/m0/s1
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| InChIKey |
DNCAESTWYCRUJH-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