General Information of the Compound
| Compound ID |
CP0226100
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C25H29N9S
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| Molecular Weight |
487.637
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nn1-c1ncnc2ccsc12
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| InChI |
InChI=1S/C25H29N9S/c26-24-30-25(31-34(24)23-22-20(7-12-35-22)27-15-28-23)29-18-3-5-19(6-4-18)32-8-10-33(11-9-32)21-14-16-1-2-17(21)13-16/h3-7,12,15-17,21H,1-2,8-11,13-14H2,(H3,26,29,30,31)
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| InChIKey |
OSKJGTWPQZJJBI-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