General Information of the Compound
| Compound ID |
CP0562939
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C26H30ClN9S
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| Molecular Weight |
536.109
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| Canonical SMILES |
Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N
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| InChI |
InChI=1S/C26H30ClN9S/c1-15-14-37-22-21(15)30-24(27)31-23(22)36-25(28)32-26(33-36)29-18-4-6-19(7-5-18)34-8-10-35(11-9-34)20-13-16-2-3-17(20)12-16/h4-7,14,16-17,20H,2-3,8-13H2,1H3,(H3,28,29,32,33)
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| InChIKey |
HLRDOMFIYHUBLJ-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