General Information of the Compound
| Compound ID |
CP0080058
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| Compound Name |
6-methyl-9-(4-methylphenyl)-N-propan-2-yl-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 |
C19H21N7
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| Molecular Weight |
347.426
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| Canonical SMILES |
CC(C)Nc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C19H21N7/c1-10(2)21-19-20-9-14-16(13-7-5-11(3)6-8-13)22-15-12(4)25-26-18(15)23-17(14)24-19/h5-10H,1-4H3,(H3,20,21,23,24,25,26)
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| InChIKey |
DVDNHJJINLEZSO-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