General Information of the Compound
| Compound ID |
CP0490598
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| Compound Name |
7-(4-methoxyphenyl)-10-methyl-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
CCC(CC)n1cc2CCN(c3ccc(OC)cc3)c3nc(C)cc1c23
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| InChI |
InChI=1S/C22H27N3O/c1-5-17(6-2)25-14-16-11-12-24(18-7-9-19(26-4)10-8-18)22-21(16)20(25)13-15(3)23-22/h7-10,13-14,17H,5-6,11-12H2,1-4H3
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| InChIKey |
DPMLQDVLZKVMSV-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