General Information of the Compound
| Compound ID |
CP0527937
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| Compound Name |
2-(2-((R)-sec-butyl(methyl)amino)ethyl)-4,5-dichloro-2-(4-fluorophenyl)-6-methoxy-2H-indene-1,3-dione
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| Structure |
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| Formula |
C23H24Cl2FNO3
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| Molecular Weight |
452.353
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| Canonical SMILES |
CC[C@@H](C)N(C)CCC1(C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H24Cl2FNO3/c1-5-13(2)27(3)11-10-23(14-6-8-15(26)9-7-14)21(28)16-12-17(30-4)19(24)20(25)18(16)22(23)29/h6-9,12-13H,5,10-11H2,1-4H3/t13-,23?/m1/s1
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| InChIKey |
XNDSHIYZGZDYEB-JHQYKTOJSA-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