General Information of the Compound
| Compound ID |
CP0863214
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| Compound Name |
(1S,2S)-2-(3-(3-Chlorophenethyl)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)cyclopentyl isobutyrate
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| Structure |
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| Formula |
C21H25ClN2O5
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| Molecular Weight |
420.893
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| Canonical SMILES |
CC(C)C(=O)O[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O
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| InChI |
InChI=1S/C21H25ClN2O5/c1-13(2)20(27)29-17-8-4-7-16(17)24-19(26)12-18(25)23(21(24)28)10-9-14-5-3-6-15(22)11-14/h3,5-6,11,13,16-17H,4,7-10,12H2,1-2H3/t16-,17-/m0/s1
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| InChIKey |
JLAHWZZOAVJSBQ-IRXDYDNUSA-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