General Information of the Compound
| Compound ID |
CP0451076
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| Compound Name |
CHEMBL4852881
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| Formula |
C23H20ClFN2O2
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| Molecular Weight |
410.876
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| Canonical SMILES |
Fc1ccc2nccc(O[C@@H]3C[C@H]4[C@@H](CNC(=O)c5ccc(Cl)cc5)[C@H]4C3)c2c1
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| InChI |
InChI=1S/C23H20ClFN2O2/c24-14-3-1-13(2-4-14)23(28)27-12-20-17-10-16(11-18(17)20)29-22-7-8-26-21-6-5-15(25)9-19(21)22/h1-9,16-18,20H,10-12H2,(H,27,28)/t16-,17-,18+,20-
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| InChIKey |
YNQNZOOVNCLJBO-GNGRWXFLSA-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