General Information of the Compound
| Compound ID |
CP0871099
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| Compound Name |
N'1-(9-Chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yl)-N'1-methyl-ethane-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 |
CN(CCN)c1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12
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| InChI |
InChI=1S/C18H16ClN5S/c1-24(10-7-20)18-16-15(14-12(19)3-2-4-13(14)25-16)22-17(23-18)11-5-8-21-9-6-11/h2-6,8-9H,7,10,20H2,1H3
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| InChIKey |
VKMZBNFMPWCQLC-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