General Information of the Compound
| Compound ID |
CP0967299
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| Compound Name |
9-Chloro-2-pyridin-4-yl-4-((S)-1-pyrrolidin-2-ylmethoxy)-benzo[4,5]thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C20H17ClN4OS
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| Molecular Weight |
396.903
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| Canonical SMILES |
Clc1cccc2sc3c(OC[C@@H]4CCCN4)nc(-c4ccncc4)nc3c12
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| InChI |
InChI=1S/C20H17ClN4OS/c21-14-4-1-5-15-16(14)17-18(27-15)20(26-11-13-3-2-8-23-13)25-19(24-17)12-6-9-22-10-7-12/h1,4-7,9-10,13,23H,2-3,8,11H2/t13-/m0/s1
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| InChIKey |
CVGXKIHRXVZAKE-ZDUSSCGKSA-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