General Information of the Compound
| Compound ID |
CP0952955
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| Compound Name |
(1S,2S)-N-(2-Pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-cyclopropane-1,2-diamine
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| Structure |
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| Formula |
C18H19N5S
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| Molecular Weight |
337.452
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| Canonical SMILES |
N[C@H]1C[C@@H]1Nc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C18H19N5S/c19-12-9-13(12)21-17-15-11-3-1-2-4-14(11)24-18(15)23-16(22-17)10-5-7-20-8-6-10/h5-8,12-13H,1-4,9,19H2,(H,21,22,23)/t12-,13-/m0/s1
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| InChIKey |
GDGBYMOMCANPGZ-STQMWFEESA-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