General Information of the Compound
| Compound ID |
CP0526134
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| Compound Name |
US9346786, 93
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| Structure |
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| Formula |
C28H30ClFN4O4
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| Molecular Weight |
541.023
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)CC#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C28H30ClFN4O4/c1-2-34(28(37)38-23-9-7-22(30)8-10-23)25-18-33(17-24(25)19-3-5-21(29)6-4-19)27(36)20-12-15-32(16-13-20)26(35)11-14-31/h3-10,20,24-25H,2,11-13,15-18H2,1H3/t24-,25+/m0/s1
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| InChIKey |
PEALWGSDAGQGSD-LOSJGSFVSA-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