General Information of the Compound
| Compound ID |
CP0428186
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| Compound Name |
2-(1-methoxybutan-2-yl)-7-(4-methoxy-2-methylphenyl)-10-methyl-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 |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
CCC(COC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
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| InChI |
InChI=1S/C23H29N3O2/c1-6-18(14-27-4)26-13-17-9-10-25(20-8-7-19(28-5)11-15(20)2)23-22(17)21(26)12-16(3)24-23/h7-8,11-13,18H,6,9-10,14H2,1-5H3
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| InChIKey |
AYUHBCWRUFPOHT-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