General Information of the Compound
| Compound ID |
CP0576089
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| Compound Name |
[4-[(3-fluoro-4-methoxyphenyl)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 |
C35H29F4N7O4
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| Molecular Weight |
687.654
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)C(=O)c2cc3ccc(Oc4cnc(cn4)-c4nc(no4)-c4ccc(cc4)C(F)(F)F)cc3n2C)cc1F
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| InChI |
InChI=1S/C35H29F4N7O4/c1-44-28-17-25(49-31-19-40-27(18-41-31)33-42-32(43-50-33)22-4-7-24(8-5-22)35(37,38)39)9-6-23(28)16-29(44)34(47)46-13-11-45(12-14-46)20-21-3-10-30(48-2)26(36)15-21/h3-10,15-19H,11-14,20H2,1-2H3
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| InChIKey |
ACZSZIAQWYCMQL-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