General Information of the Compound
| Compound ID |
CP0445067
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| Compound Name |
4-(2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[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 |
C24H29N5
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| Molecular Weight |
387.531
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| Canonical SMILES |
CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)nc1c23
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| InChI |
InChI=1S/C24H29N5/c1-5-7-20(8-6-2)29-15-19-11-12-28(21-10-9-18(14-25)13-16(21)3)23-22(19)24(29)27-17(4)26-23/h9-10,13,15,20H,5-8,11-12H2,1-4H3
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| InChIKey |
LJXYQIVEZHXDCA-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