General Information of the Compound
| Compound ID |
CP0500841
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| Compound Name |
4-(3-(4-fluorophenyl)isoxazol-5-yl)-1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidine
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| Structure |
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| Formula |
C26H23F4N3O
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| Molecular Weight |
469.482
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc(on1)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H23F4N3O/c27-22-5-1-19(2-6-22)24-15-25(34-31-24)20-10-12-32(13-11-20)16-18-9-14-33(17-18)23-7-3-21(4-8-23)26(28,29)30/h1-9,14-15,17,20H,10-13,16H2
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| InChIKey |
XFGOFMFYCWJSSL-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