General Information of the Compound
| Compound ID |
CP0478614
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| Compound Name |
(2-chlorophenyl)-(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C22H24ClNO3
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| Molecular Weight |
385.891
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C22H24ClNO3/c1-26-20-12-15-10-11-24(22(25)18-8-4-5-9-19(18)23)14-16(15)13-21(20)27-17-6-2-3-7-17/h4-5,8-9,12-13,17H,2-3,6-7,10-11,14H2,1H3
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| InChIKey |
ORVGNCUMDQABGW-UHFFFAOYSA-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