General Information of the Compound
| Compound ID |
CP0870989
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(2-(4-methylpiperazin-1-yl)ethoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C32H38F6N6O2
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| Molecular Weight |
652.684
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| Canonical SMILES |
C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCN(C)CC1
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| InChI |
InChI=1S/C32H38F6N6O2/c1-22(40-46-14-13-42-9-7-41(2)8-10-42)20-43-11-12-44(27(21-43)17-24-19-39-29-6-4-3-5-28(24)29)30(45)23-15-25(31(33,34)35)18-26(16-23)32(36,37)38/h3-6,15-16,18-19,27,39H,7-14,17,20-21H2,1-2H3/b40-22-/t27-/m1/s1
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| InChIKey |
RFSNGIFDMPUEFP-YXHYVMOGSA-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