General Information of the Compound
| Compound ID |
CP0437572
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| Compound Name |
US8618303, 4
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| Structure |
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| Formula |
C27H31ClFN3O4
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| Molecular Weight |
516.013
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H31ClFN3O4/c1-18(33)31-14-12-20(13-15-31)25(34)32-16-24(19-4-6-21(28)7-5-19)27(2,17-32)30(3)26(35)36-23-10-8-22(29)9-11-23/h4-11,20,24H,12-17H2,1-3H3/t24-,27+/m1/s1
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| InChIKey |
FGOAMURUAOQYRB-SQHAQQRYSA-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