General Information of the Compound
| Compound ID |
CP0867708
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| Compound Name |
(R)-N'1-(2-Pyridin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C17H16N6S
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| Molecular Weight |
336.424
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| Canonical SMILES |
C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1ncccc12
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| InChI |
InChI=1S/C17H16N6S/c1-10(18)9-21-16-14-13(12-3-2-6-20-17(12)24-14)22-15(23-16)11-4-7-19-8-5-11/h2-8,10H,9,18H2,1H3,(H,21,22,23)/t10-/m1/s1
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| InChIKey |
QMSQLLMWYTTYRO-SNVBAGLBSA-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