General Information of the Compound
| Compound ID |
CP0515120
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| Compound Name |
US9388171, II-2
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| Structure |
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| Formula |
C24H25ClFN3O2
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| Molecular Weight |
441.934
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C24H25ClFN3O2/c1-2-22(15-5-6-20(25)21(26)12-15)29-24(30)16-3-4-17-14-27-23(13-18(17)11-16)28-19-7-9-31-10-8-19/h3-6,11-14,19,22H,2,7-10H2,1H3,(H,27,28)(H,29,30)/t22-/m1/s1
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| InChIKey |
PQBOEVFVXNDSJY-JOCHJYFZSA-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