General Information of the Compound
| Compound ID |
CP0556396
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| Compound Name |
US8969325, 41
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| Structure |
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| Formula |
C22H21ClFN3O3
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| Molecular Weight |
429.879
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3C[C@@](C)(CF)Oc4cc(Cl)ccc34)c2ccc1=O
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| InChI |
InChI=1S/C22H21ClFN3O3/c1-22(12-24)11-17(15-7-6-13(23)10-19(15)30-22)26-21(29)25-16-4-3-5-18-14(16)8-9-20(28)27(18)2/h3-10,17H,11-12H2,1-2H3,(H2,25,26,29)/t17-,22+/m1/s1
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| InChIKey |
KRTGCPXWYGNGDP-VGSWGCGISA-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