General Information of the Compound
| Compound ID |
CP0918948
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| Compound Name |
((R)-2-((1H-indol-3-yl)methyl)-4-((Z)-2-(2-morpholinopropoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C32H37F6N5O3
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| Molecular Weight |
653.668
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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/OCC(C)N1CCOCC1
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| InChI |
InChI=1S/C32H37F6N5O3/c1-21(40-46-20-22(2)42-9-11-45-12-10-42)18-41-7-8-43(27(19-41)15-24-17-39-29-6-4-3-5-28(24)29)30(44)23-13-25(31(33,34)35)16-26(14-23)32(36,37)38/h3-6,13-14,16-17,22,27,39H,7-12,15,18-20H2,1-2H3/b40-21-/t22?,27-/m1/s1
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| InChIKey |
TUNMFJCBMPOPCN-CFYPMAHTSA-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