General Information of the Compound
| Compound ID |
CP0968596
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| Compound Name |
cis-4-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]piperazin-2-one
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
O=C1CN(C(=O)[C@H]2C[C@@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CCN1
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| InChI |
InChI=1S/C23H20F3N3O2/c24-15-3-1-12(2-4-15)21-20(17-9-16(25)10-18(26)22(17)28-21)13-7-14(8-13)23(31)29-6-5-27-19(30)11-29/h1-4,9-10,13-14,28H,5-8,11H2,(H,27,30)/t13-,14+
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| InChIKey |
OWWQLVSMSLCXDH-OKILXGFUSA-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