General Information of the Compound
| Compound ID |
CP0967924
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| Compound Name |
((3S,4S)-1-Benzyl-4-fluoro-pyrrolidin-3-yl)-(2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
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| Structure |
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| Formula |
C22H20FN5S
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| Molecular Weight |
405.502
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| Canonical SMILES |
F[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(-c2ccncc2)nc2ccsc12
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| InChI |
InChI=1S/C22H20FN5S/c23-17-13-28(12-15-4-2-1-3-5-15)14-19(17)26-22-20-18(8-11-29-20)25-21(27-22)16-6-9-24-10-7-16/h1-11,17,19H,12-14H2,(H,25,26,27)/t17-,19-/m0/s1
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| InChIKey |
YWRBZSJYUOKCPZ-HKUYNNGSSA-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