General Information of the Compound
| Compound ID |
CP0477688
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| Compound Name |
2-[7-[2-(2,5-dichlorophenyl)ethynyl]-4,4-dimethyl-3H-chromeno[3,4-d]imidazol-2-yl]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C28H16Cl2N4O
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| Molecular Weight |
495.369
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(cccc1C#N)C#N)C#Cc1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C28H16Cl2N4O/c1-28(2)26-25(33-27(34-26)24-18(14-31)4-3-5-19(24)15-32)21-10-7-16(12-23(21)35-28)6-8-17-13-20(29)9-11-22(17)30/h3-5,7,9-13H,1-2H3,(H,33,34)
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| InChIKey |
JIPMTXDDGIJWTL-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