General Information of the Compound
| Compound ID |
CP0397580
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| Compound Name |
3,5-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)-1-bicyclo[2.2.2]octanyl]phenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(Cc3nnn[nH]3)(CC1)CC2
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| InChI |
InChI=1S/C23H27N7O/c1-14-19(26-20(21(24)31)15(2)25-14)16-3-5-17(6-4-16)23-10-7-22(8-11-23,9-12-23)13-18-27-29-30-28-18/h3-6H,7-13H2,1-2H3,(H2,24,31)(H,27,28,29,30)
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| InChIKey |
DOEUGBOCFIRCJX-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