General Information of the Compound
| Compound ID |
CP0500121
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| Compound Name |
US8637507, C-56
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| Structure |
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| Formula |
C26H25ClFN3O5
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| Molecular Weight |
513.953
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| Canonical SMILES |
C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
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| InChI |
InChI=1S/C26H25ClFN3O5/c1-15-13-31(25(34)30-20-7-6-18(27)11-19(20)28)21-8-4-16(10-22(21)36-15)17-5-9-23(29-12-17)35-14-26(2,3)24(32)33/h4-12,15H,13-14H2,1-3H3,(H,30,34)(H,32,33)/t15-/m1/s1
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| InChIKey |
VJXRKUPLGVKEAP-OAHLLOKOSA-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