General Information of the Compound
| Compound ID |
CP0918225
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| Compound Name |
N'1-(2-Pyridin-4-yl-5,8-dihydro-6H-pyrano[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 |
C16H17N5OS
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| Molecular Weight |
327.413
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3
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| InChI |
InChI=1S/C16H17N5OS/c17-4-7-19-15-13-11-3-8-22-9-12(11)23-16(13)21-14(20-15)10-1-5-18-6-2-10/h1-2,5-6H,3-4,7-9,17H2,(H,19,20,21)
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| InChIKey |
AWUMXXGOCPBSHQ-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