General Information of the Compound
| Compound ID |
CP0572407
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| Compound Name |
US8969325, 172
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| Structure |
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| Formula |
C21H22ClFN4O3
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| Molecular Weight |
432.883
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c(Cl)c(F)ccc34)cc2NC1=O
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| InChI |
InChI=1S/C21H22ClFN4O3/c1-21(2)9-16(13-6-7-14(23)17(22)18(13)30-21)25-19(28)24-12-5-4-11-10-27(3)20(29)26-15(11)8-12/h4-8,16H,9-10H2,1-3H3,(H,26,29)(H2,24,25,28)/t16-/m1/s1
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| InChIKey |
IGGNKNGMPOKAHR-MRXNPFEDSA-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