General Information of the Compound
| Compound ID |
CP0910445
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| Compound Name |
1-(3-chlorophenethyl)-3-((1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-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 |
C[C@@H]1[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C[C@H]2C[C@@H]1C2(C)C
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| InChI |
InChI=1S/C22H27ClN2O3/c1-13-17-10-15(22(17,2)3)11-18(13)25-20(27)12-19(26)24(21(25)28)8-7-14-5-4-6-16(23)9-14/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3/t13-,15+,17-,18-/m0/s1
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| InChIKey |
GQKLSSZFSJGFQZ-DHXZDTOLSA-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