General Information of the Compound
| Compound ID |
CP0095767
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| Compound Name |
6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H22N4OS
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| Molecular Weight |
342.468
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| Canonical SMILES |
C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(nc2s1)-c1ccco1
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| InChI |
InChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+
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| InChIKey |
PVOIMUIDWFQGQH-TXEJJXNPSA-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