General Information of the Compound
| Compound ID |
CP0561781
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| Compound Name |
1'-[[5-(aminomethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
NCc1ccc2n(C3CCC(O)CC3)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C25H27FN4O2/c26-16-2-7-19-22(12-16)29(24(32)25(19)9-10-25)14-23-28-20-11-15(13-27)1-8-21(20)30(23)17-3-5-18(31)6-4-17/h1-2,7-8,11-12,17-18,31H,3-6,9-10,13-14,27H2
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| InChIKey |
DVEAUDWQMUVFLU-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