General Information of the Compound
| Compound ID |
CP0561780
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| Compound Name |
1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-7'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
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| Formula |
C23H22F4N4O
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| Molecular Weight |
446.448
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| Canonical SMILES |
NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4cccc(F)c34)nc2c1
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| InChI |
InChI=1S/C23H22F4N4O/c24-16-4-1-3-15-20(16)31(21(32)22(15)8-9-22)13-19-29-17-11-14(12-28)5-6-18(17)30(19)10-2-7-23(25,26)27/h1,3-6,11H,2,7-10,12-13,28H2
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| InChIKey |
PORDHBWBLGHPQW-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