General Information of the Compound
| Compound ID |
CP0451078
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| Compound Name |
CHEMBL4872039
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| Formula |
C23H22ClF2N3O
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| Molecular Weight |
429.898
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2c(F)cc(F)cc12
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| InChI |
InChI=1S/C23H22ClF2N3O/c1-2-19(28-23(30)12-3-5-13(24)6-4-12)21-16-9-15(10-17(16)21)29-11-27-22-18(26)7-14(25)8-20(22)29/h3-8,11,15-17,19,21H,2,9-10H2,1H3,(H,28,30)/t15-,16-,17+,19?,21+
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| InChIKey |
BEYUSXVOFZUXLC-PXFYCIBDSA-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