General Information of the Compound
| Compound ID |
CP0967544
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| Compound Name |
N'1-(2-Pyridin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C16H14N6S
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| Molecular Weight |
322.397
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2c1sc1ncccc12
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| InChI |
InChI=1S/C16H14N6S/c17-5-9-19-15-13-12(11-2-1-6-20-16(11)23-13)21-14(22-15)10-3-7-18-8-4-10/h1-4,6-8H,5,9,17H2,(H,19,21,22)
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| InChIKey |
DCVGLDKXXXQKMS-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