General Information of the Compound
| Compound ID |
CP0960817
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-furylmethyl)carbamate
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| Formula |
C24H19F3N2O3
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| Molecular Weight |
440.421
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| Canonical SMILES |
O=C(NCc1ccco1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H19F3N2O3/c25-15-5-3-13(4-6-15)22-21(19-10-16(26)11-20(27)23(19)29-22)14-8-18(9-14)32-24(30)28-12-17-2-1-7-31-17/h1-7,10-11,14,18,29H,8-9,12H2,(H,28,30)/t14-,18-
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| InChIKey |
BKLWKSOVNVNFRX-PPUGGXLSSA-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