General Information of the Compound
| Compound ID |
CP0894609
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(2-aminoethoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C27H29F6N5O2
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| Molecular Weight |
569.55
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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/OCCN
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| InChI |
InChI=1S/C27H29F6N5O2/c1-17(36-40-9-6-34)15-37-7-8-38(22(16-37)12-19-14-35-24-5-3-2-4-23(19)24)25(39)18-10-20(26(28,29)30)13-21(11-18)27(31,32)33/h2-5,10-11,13-14,22,35H,6-9,12,15-16,34H2,1H3/b36-17-/t22-/m1/s1
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| InChIKey |
RXHOOMSRVGJWKW-MRWAXMPCSA-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