General Information of the Compound
| Compound ID |
CP0577918
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| Compound Name |
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
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| Structure |
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| Formula |
C35H30F3N7O3
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| Molecular Weight |
653.665
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| Canonical SMILES |
Cc1cccc(CN2CCN(CC2)C(=O)c2cc3ccc(Oc4cnc(cn4)-c4nc(no4)-c4ccc(cc4)C(F)(F)F)cc3n2C)c1
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| InChI |
InChI=1S/C35H30F3N7O3/c1-22-4-3-5-23(16-22)21-44-12-14-45(15-13-44)34(46)30-17-25-8-11-27(18-29(25)43(30)2)47-31-20-39-28(19-40-31)33-41-32(42-48-33)24-6-9-26(10-7-24)35(36,37)38/h3-11,16-20H,12-15,21H2,1-2H3
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| InChIKey |
AWTJOEITWWNZHX-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