General Information of the Compound
| Compound ID |
CP0446108
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| Compound Name |
CHEMBL3956753
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| Formula |
C24H24ClF3N4O3
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| Molecular Weight |
508.928
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| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C24H24ClF3N4O3/c1-12-3-2-4-16(25)18(12)31-23-30-17-11-15(20-21(19(17)32-23)35-10-9-34-20)22(33)29-14-7-5-13(6-8-14)24(26,27)28/h2-4,11,13-14H,5-10H2,1H3,(H,29,33)(H2,30,31,32)/t13-,14-
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| InChIKey |
UHGUYSAHGCWJSP-HDJSIYSDSA-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