General Information of the Compound
| Compound ID |
CP0488434
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| Compound Name |
1-((1S,3R)-5-(1-cyclopropyl- 1H-pyrazol-4-yl)-3- (hydroxymethyl)-1-methyl- 3,4-dihydroisoquinolin-2(1H)- yl)-2-(2,6- dichlorophenyl)ethan-1-one
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| Structure |
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| Formula |
C25H25Cl2N3O2
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| Molecular Weight |
470.4
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| Canonical SMILES |
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(c1)C1CC1)C(=O)Cc1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H25Cl2N3O2/c1-15-19-4-2-5-20(16-12-28-29(13-16)17-8-9-17)21(19)10-18(14-31)30(15)25(32)11-22-23(26)6-3-7-24(22)27/h2-7,12-13,15,17-18,31H,8-11,14H2,1H3/t15-,18+/m0/s1
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| InChIKey |
HGQHLJRFATXYPS-MAUKXSAKSA-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