General Information of the Compound
| Compound ID |
CP0876467
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| Compound Name |
methyl 1-(3-(3-Chlorophenethyl)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)cyclopentanecarboxylate
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| Structure |
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| Formula |
C19H21ClN2O5
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| Molecular Weight |
392.839
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| Canonical SMILES |
COC(=O)C1(N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)CCCC1
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| InChI |
InChI=1S/C19H21ClN2O5/c1-27-17(25)19(8-2-3-9-19)22-16(24)12-15(23)21(18(22)26)10-7-13-5-4-6-14(20)11-13/h4-6,11H,2-3,7-10,12H2,1H3
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| InChIKey |
MBFDPKDUVMZYND-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