General Information of the Compound
| Compound ID |
CP0080057
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| Compound Name |
6-methyl-9-(4-methylphenyl)-13-(4-methylpiperazin-1-yl)-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
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| Structure |
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| Formula |
C21H24N8
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| Molecular Weight |
388.479
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| Canonical SMILES |
CN1CCN(CC1)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C21H24N8/c1-13-4-6-15(7-5-13)18-16-12-22-21(29-10-8-28(3)9-11-29)25-19(16)24-20-17(23-18)14(2)26-27-20/h4-7,12H,8-11H2,1-3H3,(H2,22,24,25,26,27)
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| InChIKey |
CGQAJNWPJQOPOT-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