General Information of the Compound
| Compound ID |
CP0493094
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| Compound Name |
N-[3-[1-[3-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C31H34FN5O
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| Molecular Weight |
511.645
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| Canonical SMILES |
Fc1ccc(cc1)-n1c(NCCCN2CCC(CC2)c2cccc(NC(=O)C3CC3)c2)nc2ccccc12
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| InChI |
InChI=1S/C31H34FN5O/c32-25-11-13-27(14-12-25)37-29-8-2-1-7-28(29)35-31(37)33-17-4-18-36-19-15-22(16-20-36)24-5-3-6-26(21-24)34-30(38)23-9-10-23/h1-3,5-8,11-14,21-23H,4,9-10,15-20H2,(H,33,35)(H,34,38)
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| InChIKey |
OZHWWJKJVFUFNI-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