General Information of the Compound
| Compound ID |
CP0891593
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| Compound Name |
(1-(3-(3-Chlorophenethyl)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)cyclopentyl)methyl isobutyrate
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| Structure |
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| Formula |
C22H27ClN2O5
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| Molecular Weight |
434.92
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| Canonical SMILES |
CC(C)C(=O)OCC1(N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)CCCC1
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| InChI |
InChI=1S/C22H27ClN2O5/c1-15(2)20(28)30-14-22(9-3-4-10-22)25-19(27)13-18(26)24(21(25)29)11-8-16-6-5-7-17(23)12-16/h5-7,12,15H,3-4,8-11,13-14H2,1-2H3
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| InChIKey |
WVZGIBNKFSHXFP-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
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D