General Information of the Compound
| Compound ID |
CP0401498
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| Compound Name |
(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C22H25NO3/c1-25-20-13-17-11-12-23(22(24)16-7-3-2-4-8-16)15-18(17)14-21(20)26-19-9-5-6-10-19/h2-4,7-8,13-14,19H,5-6,9-12,15H2,1H3
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| InChIKey |
DFKOUZPGEZPWIR-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