General Information of the Compound
| Compound ID |
CP0356104
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-1-(6-chloroquinazolin-4-yl)-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C27H30ClN9
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| Molecular Weight |
516.053
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H30ClN9/c28-19-3-8-23-22(15-19)25(31-16-30-23)37-26(29)33-27(34-37)32-20-4-6-21(7-5-20)35-9-11-36(12-10-35)24-14-17-1-2-18(24)13-17/h3-8,15-18,24H,1-2,9-14H2,(H3,29,32,33,34)
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| InChIKey |
HFBCNFAEWHBUEF-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