General Information of the Compound
| Compound ID |
CP0563914
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| Compound Name |
US8969325, 212
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| Structure |
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| Formula |
C21H20ClF2N3O3
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| Molecular Weight |
435.858
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| Canonical SMILES |
C[C@]1(C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccc(Cl)cc2O1)C(F)F
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| InChI |
InChI=1S/C21H20ClF2N3O3/c1-21(19(23)24)10-16(14-6-4-12(22)8-17(14)30-21)27-20(29)25-13-5-2-11-3-7-18(28)26-15(11)9-13/h2,4-6,8-9,16,19H,3,7,10H2,1H3,(H,26,28)(H2,25,27,29)/t16-,21+/m1/s1
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| InChIKey |
QQZDIHDOETVORL-IERDGZPVSA-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