General Information of the Compound
| Compound ID |
CP0493424
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| Compound Name |
US9346786, 84
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| Structure |
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| Formula |
C30H35ClFN3O5
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| Molecular Weight |
572.077
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)COC1)C(=O)Oc1ccccc1F
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| InChI |
InChI=1S/C30H35ClFN3O5/c1-3-35(29(38)40-26-7-5-4-6-24(26)32)25-17-34(16-23(25)20-8-10-22(31)11-9-20)27(36)21-12-14-33(15-13-21)28(37)30(2)18-39-19-30/h4-11,21,23,25H,3,12-19H2,1-2H3/t23-,25+/m0/s1
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| InChIKey |
MSSZGEQDJPHTTO-UKILVPOCSA-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