General Information of the Compound
| Compound ID |
CP0866839
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| Compound Name |
N'1-(7-Methyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C17H20N6S
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| Molecular Weight |
340.456
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| Canonical SMILES |
CN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C17H20N6S/c1-23-9-4-12-13(10-23)24-17-14(12)16(20-8-5-18)21-15(22-17)11-2-6-19-7-3-11/h2-3,6-7H,4-5,8-10,18H2,1H3,(H,20,21,22)
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| InChIKey |
OGYCZCYISQKRAP-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