General Information of the Compound
| Compound ID |
CP0400483
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| Compound Name |
US9346786, 56
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| Structure |
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| Formula |
C25H28ClF2N3O3
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| Molecular Weight |
491.966
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCNCC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C25H28ClF2N3O3/c1-2-31(25(33)34-19-6-4-18(27)5-7-19)23-15-30(24(32)16-9-11-29-12-10-16)14-20(23)17-3-8-21(26)22(28)13-17/h3-8,13,16,20,23,29H,2,9-12,14-15H2,1H3/t20-,23+/m0/s1
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| InChIKey |
YYOPTZCYJYCYFR-NZQKXSOJSA-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