General Information of the Compound
| Compound ID |
CP0342623
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| Compound Name |
US9303015, 42
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| Structure |
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| Formula |
C27H18Cl3N3O
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| Molecular Weight |
506.82
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| Canonical SMILES |
OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C27H18Cl3N3O/c28-20-8-4-6-17(14-20)27(34,19-7-5-13-31-16-19)18-11-12-23-22(15-18)24(29)25(26(30)33-23)32-21-9-2-1-3-10-21/h1-16,32,34H
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| InChIKey |
FVDNUOYVMNZOQL-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