General Information of the Compound
| Compound ID |
CP0503774
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| Compound Name |
US8969325, 14
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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 |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3C[C@@](C)(CF)Oc4cc(Cl)ccc34)cccc12
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| InChI |
InChI=1S/C21H22ClFN4O3/c1-21(11-23)9-16(13-7-6-12(22)8-18(13)30-21)26-19(28)25-15-4-3-5-17-14(15)10-24-20(29)27(17)2/h3-8,16H,9-11H2,1-2H3,(H,24,29)(H2,25,26,28)/t16-,21+/m1/s1
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| InChIKey |
ROVLWHCDGXIZNA-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