General Information of the Compound
| Compound ID |
CP0561782
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| Compound Name |
1'-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
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| Formula |
C22H18ClF4N3O
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| Molecular Weight |
451.851
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| Canonical SMILES |
Fc1ccc2c(c1)N(Cc1nc3cc(Cl)ccc3n1CCCC(F)(F)F)C(=O)C21CC1
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| InChI |
InChI=1S/C22H18ClF4N3O/c23-13-2-5-17-16(10-13)28-19(29(17)9-1-6-22(25,26)27)12-30-18-11-14(24)3-4-15(18)21(7-8-21)20(30)31/h2-5,10-11H,1,6-9,12H2
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| InChIKey |
OLIUSAKESRUYJX-UHFFFAOYSA-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