General Information of the Compound
| Compound ID |
CP0935578
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| Compound Name |
[4-(2-Amino-ethylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl]-cyclopropyl-methanone
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| Structure |
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| Formula |
C20H22N6OS
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| Molecular Weight |
394.504
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CC1)C3
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| InChI |
InChI=1S/C20H22N6OS/c21-6-9-23-18-16-14-5-10-26(20(27)13-1-2-13)11-15(14)28-19(16)25-17(24-18)12-3-7-22-8-4-12/h3-4,7-8,13H,1-2,5-6,9-11,21H2,(H,23,24,25)
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| InChIKey |
QNICBKPNXMVOSR-UHFFFAOYSA-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