General Information of the Compound
| Compound ID |
CP0952741
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| Compound Name |
(R)-Piperidin-3-yl-(2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
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| Structure |
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| Formula |
C16H17N5S
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| Molecular Weight |
311.414
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C16H17N5S/c1-2-12(10-18-6-1)19-16-14-13(5-9-22-14)20-15(21-16)11-3-7-17-8-4-11/h3-5,7-9,12,18H,1-2,6,10H2,(H,19,20,21)/t12-/m1/s1
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| InChIKey |
SPCPBZVNDGXONZ-GFCCVEGCSA-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