General Information of the Compound
| Compound ID |
CP0229093
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| Compound Name |
N,6-dimethyl-9-(4-methylphenyl)-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-amine
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| Structure |
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| Formula |
C17H17N7
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| Molecular Weight |
319.372
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| Canonical SMILES |
CNc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C17H17N7/c1-9-4-6-11(7-5-9)14-12-8-19-17(18-3)22-15(12)21-16-13(20-14)10(2)23-24-16/h4-8H,1-3H3,(H3,18,19,21,22,23,24)
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| InChIKey |
WTCMEZGTRYAQQE-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