General Information of the Compound
| Compound ID |
CP0116948
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| Compound Name |
6-methyl-9-(4-methylphenyl)-13-piperidin-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 |
C21H23N7
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| Molecular Weight |
373.464
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| Canonical SMILES |
Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCCCC1
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| InChI |
InChI=1S/C21H23N7/c1-13-6-8-15(9-7-13)18-16-12-22-21(28-10-4-3-5-11-28)25-19(16)24-20-17(23-18)14(2)26-27-20/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,24,25,26,27)
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| InChIKey |
MPSOTLJRIZYQCG-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