General Information of the Compound
| Compound ID |
CP0187424
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| Compound Name |
US9346782, 3
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| Structure |
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| Formula |
C23H19Cl2N3O
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| Molecular Weight |
424.331
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| Canonical SMILES |
Cn1cncc1C(O)(C1CC1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C23H19Cl2N3O/c1-28-13-26-12-19(28)23(29,15-7-8-15)16-9-10-18-17(11-16)21(24)20(22(25)27-18)14-5-3-2-4-6-14/h2-6,9-13,15,29H,7-8H2,1H3
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| InChIKey |
PEXKKGMYAIJRBR-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