General Information of the Compound
| Compound ID |
CP0504975
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| Compound Name |
1-[(4-fluorophenyl)methyl]-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]benzimidazol-2-amine
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| Structure |
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| Formula |
C28H28FN5
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| Molecular Weight |
453.565
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| Canonical SMILES |
Fc1ccc(Cn2c(NC3CCN(Cc4ccc5[nH]ccc5c4)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C28H28FN5/c29-23-8-5-20(6-9-23)19-34-27-4-2-1-3-26(27)32-28(34)31-24-12-15-33(16-13-24)18-21-7-10-25-22(17-21)11-14-30-25/h1-11,14,17,24,30H,12-13,15-16,18-19H2,(H,31,32)
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| InChIKey |
ADRXLGLHNMXDTH-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