General Information of the Compound
| Compound ID |
CP0868698
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(2-methyl-2-morpholinopropoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C33H39F6N5O3
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| Molecular Weight |
667.695
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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)(C)N1CCOCC1
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| InChI |
InChI=1S/C33H39F6N5O3/c1-22(41-47-21-31(2,3)43-10-12-46-13-11-43)19-42-8-9-44(27(20-42)16-24-18-40-29-7-5-4-6-28(24)29)30(45)23-14-25(32(34,35)36)17-26(15-23)33(37,38)39/h4-7,14-15,17-18,27,40H,8-13,16,19-21H2,1-3H3/b41-22-/t27-/m1/s1
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| InChIKey |
VBQVVZXNISQKJF-FIPWLEDMSA-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