General Information of the Compound
| Compound ID |
CP0967621
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| Compound Name |
4-(1S,4S)-2,5-Diaza-bicyclo[2.2.1]hept-2-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 |
C20H21N5S
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| Molecular Weight |
363.49
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| Canonical SMILES |
c1cc(-c2nc(N3C[C@@H]4C[C@H]3CN4)c3c4c(sc3n2)CCCC4)ccn1
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| InChI |
InChI=1S/C20H21N5S/c1-2-4-16-15(3-1)17-19(25-11-13-9-14(25)10-22-13)23-18(24-20(17)26-16)12-5-7-21-8-6-12/h5-8,13-14,22H,1-4,9-11H2/t13-,14-/m0/s1
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| InChIKey |
DVVLDQCXKWTHGM-KBPBESRZSA-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