General Information of the Compound
| Compound ID |
CP0526495
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| Compound Name |
4-[2-(1-methoxybutan-2-yl)-10-methyl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl]-3-methylbenzonitrile
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| Structure |
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| Formula |
C23H26N4O
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| Molecular Weight |
374.488
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| Canonical SMILES |
CCC(COC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C23H26N4O/c1-5-19(14-28-4)27-13-18-8-9-26(20-7-6-17(12-24)10-15(20)2)23-22(18)21(27)11-16(3)25-23/h6-7,10-11,13,19H,5,8-9,14H2,1-4H3
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| InChIKey |
JZLZUFMJLPPVRF-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