General Information of the Compound
| Compound ID |
CP0519219
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| Compound Name |
(3S,4R)-4-[5-(4-Chloro-phenyl)-pyrazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol
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| Structure |
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| Formula |
C19H18ClN3O2
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| Molecular Weight |
355.825
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| Canonical SMILES |
CC1(C)Oc2ccncc2[C@H]([C@@H]1O)n1nccc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClN3O2/c1-19(2)18(24)17(14-11-21-9-8-16(14)25-19)23-15(7-10-22-23)12-3-5-13(20)6-4-12/h3-11,17-18,24H,1-2H3/t17-,18+/m1/s1
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| InChIKey |
IXZUJHOFVXCRRK-MSOLQXFVSA-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