General Information of the Compound
| Compound ID |
CP0574936
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| Compound Name |
2-chloro-1-[4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C29H23ClF3N7O4
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| Molecular Weight |
625.995
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(CC1)C(=O)CCl
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| InChI |
InChI=1S/C29H23ClF3N7O4/c1-38-22-13-20(7-4-18(22)12-23(38)28(42)40-10-8-39(9-11-40)25(41)14-30)43-24-16-34-21(15-35-24)27-36-26(37-44-27)17-2-5-19(6-3-17)29(31,32)33/h2-7,12-13,15-16H,8-11,14H2,1H3
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| InChIKey |
ZHOKEEPTHUCNTR-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