General Information of the Compound
| Compound ID |
CP0577262
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| Compound Name |
US11104675, Example 9
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| Structure |
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| Formula |
C20H23Cl3N4O2
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| Molecular Weight |
457.789
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N
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| InChI |
InChI=1S/C20H23Cl3N4O2/c1-11-17(24)20(10-29-11)6-8-26(9-7-20)18-16(23)19(28)27(12(2)25-18)14-5-3-4-13(21)15(14)22/h3-5,11,17H,6-10,24H2,1-2H3/t11-,17+/m0/s1
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| InChIKey |
IHKHKMXWPFOHFR-APPDUMDISA-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