General Information of the Compound
| Compound ID |
CP0547317
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| Compound Name |
2-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-7-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C25H27N3O3/c1-17-13-19-7-11-27(23-8-12-31-16-24(23)29)25(30)22(19)15-20(17)14-18-3-5-21(6-4-18)28-10-2-9-26-28/h2-6,9-10,13,15,23-24,29H,7-8,11-12,14,16H2,1H3/t23-,24-/m0/s1
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| InChIKey |
NKSBRNQSCYYARZ-ZEQRLZLVSA-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