General Information of the Compound
| Compound ID |
CP0574992
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| Compound Name |
[1-prop-2-enyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C38H31F6N7O4
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| Molecular Weight |
763.699
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2cc3ccc(Oc4cnc(cn4)-c4nc(no4)-c4ccc(cc4)C(F)(F)F)cc3n2CC=C)cc1
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| InChI |
InChI=1S/C38H31F6N7O4/c1-2-13-51-31-19-29(54-33-21-45-30(20-46-33)35-47-34(48-55-35)25-5-8-27(9-6-25)38(42,43)44)12-7-26(31)18-32(51)36(52)50-16-14-49(15-17-50)22-24-3-10-28(11-4-24)53-23-37(39,40)41/h2-12,18-21H,1,13-17,22-23H2
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| InChIKey |
PXKZSJWEOXPCGI-UHFFFAOYSA-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