General Information of the Compound
| Compound ID |
CP0510270
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| Compound Name |
(R)-5-((3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutylamino)methyl)-2H-1,2,4-triazol-3(4H)-one
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| Structure |
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| Formula |
C24H24F6N4O2
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| Molecular Weight |
514.47
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| Canonical SMILES |
C[C@@H](OCC1(CC(C1)NCc1n[nH]c(=O)[nH]1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H24F6N4O2/c1-14(15-7-17(23(25,26)27)9-18(8-15)24(28,29)30)36-13-22(16-5-3-2-4-6-16)10-19(11-22)31-12-20-32-21(35)34-33-20/h2-9,14,19,31H,10-13H2,1H3,(H2,32,33,34,35)/t14-,19?,22?/m1/s1
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| InChIKey |
BHOBTAHATOPTPK-QDAZHVTCSA-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