General Information of the Compound
| Compound ID |
CP0382906
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| Compound Name |
(3E)-5,7-dichloro-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]chromen-4-one
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| Structure |
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| Formula |
C16H13Cl2N3O2
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| Molecular Weight |
350.205
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| Canonical SMILES |
CN(C)c1ncc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
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| InChI |
InChI=1S/C16H13Cl2N3O2/c1-21(2)16-19-6-9(7-20-16)3-10-8-23-13-5-11(17)4-12(18)14(13)15(10)22/h3-7H,8H2,1-2H3/b10-3+
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| InChIKey |
APOSPQWHQSODCD-XCVCLJGOSA-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