General Information of the Compound
| Compound ID |
CP0852652
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| Compound Name |
1-[4-(2-Amino-ethylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl]-pentan-1-one
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| Structure |
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| Formula |
C21H26N6OS
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| Molecular Weight |
410.547
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| Canonical SMILES |
CCCCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C21H26N6OS/c1-2-3-4-17(28)27-12-7-15-16(13-27)29-21-18(15)20(24-11-8-22)25-19(26-21)14-5-9-23-10-6-14/h5-6,9-10H,2-4,7-8,11-13,22H2,1H3,(H,24,25,26)
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| InChIKey |
CRSPJFRFIJOXHQ-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