General Information of the Compound
| Compound ID |
CP0555241
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-(2H-tetrazol-5-ylmethyl)piperazine
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| Structure |
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| Formula |
C23H24F6N6O
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| Molecular Weight |
514.474
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| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCN(Cc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F6N6O/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-36-15-20(17-4-2-1-3-5-17)35-8-6-34(7-9-35)13-21-30-32-33-31-21/h1-5,10-12,20H,6-9,13-15H2,(H,30,31,32,33)
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| InChIKey |
QUARZWNHDPZJSZ-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