General Information of the Compound
| Compound ID |
CP0510668
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| Compound Name |
3-methyl-4-(10-methyl-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl)benzonitrile
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| Structure |
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| Formula |
C23H26N4
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| Molecular Weight |
358.489
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| Canonical SMILES |
CCC(CC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C23H26N4/c1-5-19(6-2)27-14-18-9-10-26(20-8-7-17(13-24)11-15(20)3)23-22(18)21(27)12-16(4)25-23/h7-8,11-12,14,19H,5-6,9-10H2,1-4H3
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| InChIKey |
BUUKVCOVWOWDOV-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