General Information of the Compound
| Compound ID |
CP0845895
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| Compound Name |
cis-1-(3-Chlorophenethyl)-3-(((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methyl)pyrimi-dine-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@H](CN3C(=O)CC(=O)N(CCc4cccc(Cl)c4)C3=O)[C@H]1C2
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| InChI |
InChI=1S/C22H27ClN2O3/c1-22(2)16-7-6-15(18(22)11-16)13-25-20(27)12-19(26)24(21(25)28)9-8-14-4-3-5-17(23)10-14/h3-5,10,15-16,18H,6-9,11-13H2,1-2H3/t15-,16-,18-/m1/s1
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| InChIKey |
XADKVGGRZIWFQC-JFIYKMOQSA-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