General Information of the Compound
| Compound ID |
CP0426618
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| Compound Name |
US8791272, 7.4
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| Structure |
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| Formula |
C22H21Cl2N3O3
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| Molecular Weight |
446.334
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H21Cl2N3O3/c1-12-8-15(11-27-14(3)17(10-21(28)29)13(2)26-27)4-7-20(12)25-22(30)16-5-6-18(23)19(24)9-16/h4-9H,10-11H2,1-3H3,(H,25,30)(H,28,29)
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| InChIKey |
PVGLLURZAQNAMY-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