General Information of the Compound
| Compound ID |
CP0517450
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| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide
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| Structure |
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| Formula |
C26H27ClN2O3
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| Molecular Weight |
450.966
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| Canonical SMILES |
Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2cncc3ccccc23)cc1
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| InChI |
InChI=1S/C26H27ClN2O3/c27-21-7-5-19(6-8-21)11-14-29(22-9-12-26(13-10-22)31-15-16-32-26)25(30)24-18-28-17-20-3-1-2-4-23(20)24/h1-8,17-18,22H,9-16H2
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| InChIKey |
DEVBBISJUZSUQK-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