General Information of the Compound
| Compound ID |
CP0418475
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| Compound Name |
CHEMBL4869547
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| Formula |
C23H21ClF3N3O
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| Molecular Weight |
447.888
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
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| InChI |
InChI=1S/C23H21ClF3N3O/c1-2-19(29-23(31)11-3-4-15(24)16(25)5-11)22-13-6-12(7-14(13)22)30-10-28-20-8-17(26)18(27)9-21(20)30/h3-5,8-10,12-14,19,22H,2,6-7H2,1H3,(H,29,31)/t12-,13-,14+,19-,22+/m1/s1
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| InChIKey |
UMTBODCLVXXNCB-AFVPOHNSSA-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