General Information of the Compound
| Compound ID |
CP0274212
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-1-isoquinolin-1-yl-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C28H32N8
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| Molecular Weight |
480.62
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1nccc2ccccc12
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| InChI |
InChI=1S/C28H32N8/c29-27-32-28(33-36(27)26-24-4-2-1-3-20(24)11-12-30-26)31-22-7-9-23(10-8-22)34-13-15-35(16-14-34)25-18-19-5-6-21(25)17-19/h1-4,7-12,19,21,25H,5-6,13-18H2,(H3,29,31,32,33)
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| InChIKey |
GHJCUXDFXLKDLW-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