General Information of the Compound
| Compound ID |
CP0517714
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| Compound Name |
N-[(3R,4S)-2,3-dihydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC(O)[C@@H]1O
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| InChI |
InChI=1S/C22H23N3O4S/c1-13-10-23-18(21(27)25-17-6-7-29-22(28)20(17)26)9-16(13)8-14-2-4-15(5-3-14)19-11-30-12-24-19/h2-5,9-12,17,20,22,26,28H,6-8H2,1H3,(H,25,27)/t17-,20+,22?/m0/s1
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| InChIKey |
CHHQBZRMBDOPBI-UNEGGNDLSA-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