General Information of the Compound
| Compound ID |
CP0410992
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| Compound Name |
6-chloro-4-(2-chlorophenyl)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazole
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| Structure |
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| Formula |
C27H25Cl2FN4
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| Molecular Weight |
495.429
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| Canonical SMILES |
Cc1cc(Cn2c(nc3c(cc(Cl)cc23)-c2ccccc2Cl)N2CC3(CNC3)C2)cc(C)c1F
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| InChI |
InChI=1S/C27H25Cl2FN4/c1-16-7-18(8-17(2)24(16)30)11-34-23-10-19(28)9-21(20-5-3-4-6-22(20)29)25(23)32-26(34)33-14-27(15-33)12-31-13-27/h3-10,31H,11-15H2,1-2H3
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| InChIKey |
RFFRTZXGUDBJNN-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