General Information of the Compound
| Compound ID |
CP0860614
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| Compound Name |
1-(4-Chlorophenethyl)-3-((1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
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| Structure |
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| Formula |
C22H27ClN2O3
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| Molecular Weight |
402.922
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C1=O)C2
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| InChI |
InChI=1S/C22H27ClN2O3/c1-21(2)15-8-10-22(21,3)17(12-15)25-19(27)13-18(26)24(20(25)28)11-9-14-4-6-16(23)7-5-14/h4-7,15,17H,8-13H2,1-3H3/t15-,17+,22+/m1/s1
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| InChIKey |
YYHKGMNCVMPCGZ-ZWWNWMABSA-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