General Information of the Compound
| Compound ID |
CP0894610
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(2-morpholinoethoxyimino)-2-phenylethyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C36H37F6N5O3
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| Molecular Weight |
701.712
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| Canonical SMILES |
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C36H37F6N5O3/c37-35(38,39)28-18-26(19-29(21-28)36(40,41)42)34(48)47-11-10-46(23-30(47)20-27-22-43-32-9-5-4-8-31(27)32)24-33(25-6-2-1-3-7-25)44-50-17-14-45-12-15-49-16-13-45/h1-9,18-19,21-22,30,43H,10-17,20,23-24H2/b44-33+/t30-/m1/s1
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| InChIKey |
FDTWCNPUYSAMHO-OUADDPIDSA-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