General Information of the Compound
| Compound ID |
CP0549539
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| Compound Name |
N-[[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C27H35F3N4O3
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| Molecular Weight |
520.596
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| Canonical SMILES |
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(O)c2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C27H35F3N4O3/c1-2-25(36)34(24-10-6-9-23(31-24)27(28,29)30)20-26(11-17-37-18-12-26)33-15-13-32(14-16-33)19-22(35)21-7-4-3-5-8-21/h3-10,22,35H,2,11-20H2,1H3
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| InChIKey |
QPXZCPJNRRAYJE-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