General Information of the Compound
| Compound ID |
CP0850339
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| Compound Name |
(R)-N'1-(9-Chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C18H16ClN5S
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| Molecular Weight |
369.881
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| Canonical SMILES |
C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12
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| InChI |
InChI=1S/C18H16ClN5S/c1-10(20)9-22-18-16-15(14-12(19)3-2-4-13(14)25-16)23-17(24-18)11-5-7-21-8-6-11/h2-8,10H,9,20H2,1H3,(H,22,23,24)/t10-/m1/s1
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| InChIKey |
RZZKTKIGXMBTFI-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