General Information of the Compound
| Compound ID |
CP0904894
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(3-morpholinopropoxyimino)-2-phenylethyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C37H39F6N5O3
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| Molecular Weight |
715.739
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| Canonical SMILES |
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C37H39F6N5O3/c38-36(39,40)29-19-27(20-30(22-29)37(41,42)43)35(49)48-13-12-47(24-31(48)21-28-23-44-33-10-5-4-9-32(28)33)25-34(26-7-2-1-3-8-26)45-51-16-6-11-46-14-17-50-18-15-46/h1-5,7-10,19-20,22-23,31,44H,6,11-18,21,24-25H2/b45-34+/t31-/m1/s1
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| InChIKey |
HAICMSYYIMFNOF-XAHIPPIJSA-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