General Information of the Compound
| Compound ID |
CP0968606
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| Compound Name |
(4-{2-(4-Fluorophenyl)-2-[(pyridin-2-ylmethyl)amino]ethyl}piperazin-1-yl)(2-methoxyphenyl)methanone
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| Structure |
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| Formula |
C26H29FN4O2
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| Molecular Weight |
448.542
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCN(CC(NCc2ccccn2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C26H29FN4O2/c1-33-25-8-3-2-7-23(25)26(32)31-16-14-30(15-17-31)19-24(20-9-11-21(27)12-10-20)29-18-22-6-4-5-13-28-22/h2-13,24,29H,14-19H2,1H3
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| InChIKey |
MONHWVMCOTWFHP-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