General Information of the Compound
| Compound ID |
CP0880966
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| Compound Name |
4-((S)-3-Methyl-piperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C20H23N5S
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| Molecular Weight |
365.506
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| Canonical SMILES |
C[C@H]1CN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CCN1
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| InChI |
InChI=1S/C20H23N5S/c1-13-12-25(11-10-22-13)19-17-15-4-2-3-5-16(15)26-20(17)24-18(23-19)14-6-8-21-9-7-14/h6-9,13,22H,2-5,10-12H2,1H3/t13-/m0/s1
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| InChIKey |
PRQNIUDXTRVWKB-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