General Information of the Compound
| Compound ID |
CP0849174
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| Compound Name |
N'1-(7-Isobutyl-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 |
C20H26N6S
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| Molecular Weight |
382.537
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| Canonical SMILES |
CC(C)CN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C20H26N6S/c1-13(2)11-26-10-5-15-16(12-26)27-20-17(15)19(23-9-6-21)24-18(25-20)14-3-7-22-8-4-14/h3-4,7-8,13H,5-6,9-12,21H2,1-2H3,(H,23,24,25)
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| InChIKey |
KYCSKTRNULLBCM-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