General Information of the Compound
| Compound ID |
CP0570903
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| Compound Name |
CHEMBL4868112
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| Formula |
C25H24ClFN2O2
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| Molecular Weight |
438.93
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@H]2C[C@H](C[C@@H]12)Oc1ccnc2cc(F)ccc12
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| InChI |
InChI=1S/C25H24ClFN2O2/c1-2-21(29-25(30)14-3-5-15(26)6-4-14)24-19-12-17(13-20(19)24)31-23-9-10-28-22-11-16(27)7-8-18(22)23/h3-11,17,19-21,24H,2,12-13H2,1H3,(H,29,30)/t17-,19+,20-,21?,24+
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| InChIKey |
RYIUAQGKTYXNMD-NQFLRFLZSA-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