General Information of the Compound
| Compound ID |
CP0235825
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-1-(2-methylquinazolin-4-yl)-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C28H33N9
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| Molecular Weight |
495.635
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| Canonical SMILES |
Cc1nc(-n2nc(Nc3ccc(cc3)N3CCN(CC3)C3CC4CCC3C4)nc2N)c2ccccc2n1
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| InChI |
InChI=1S/C28H33N9/c1-18-30-24-5-3-2-4-23(24)26(31-18)37-27(29)33-28(34-37)32-21-8-10-22(11-9-21)35-12-14-36(15-13-35)25-17-19-6-7-20(25)16-19/h2-5,8-11,19-20,25H,6-7,12-17H2,1H3,(H3,29,32,33,34)
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| InChIKey |
GQYBICVRUVAWPG-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