General Information of the Compound
| Compound ID |
CP0410736
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| Compound Name |
3-benzyl-N-(1-phenyl-2-piperidin-1-ylethyl)-5-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C27H33N7
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| Molecular Weight |
455.61
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| Canonical SMILES |
CC(C)c1nc(NC(CN2CCCCC2)c2ccccc2)c2nnn(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C27H33N7/c1-20(2)25-29-26(24-27(30-25)34(32-31-24)18-21-12-6-3-7-13-21)28-23(22-14-8-4-9-15-22)19-33-16-10-5-11-17-33/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3,(H,28,29,30)
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| InChIKey |
QTZIEHKWDOFTFQ-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