General Information of the Compound
| Compound ID |
CP0960820
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| Compound Name |
trans-(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
O=C(NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC[C@@H]1CO
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| InChI |
InChI=1S/C25H26F3N3O2/c26-17-5-3-15(4-6-17)23-22(20-10-18(27)11-21(28)24(20)30-23)16-8-14(9-16)12-29-25(33)31-7-1-2-19(31)13-32/h3-6,10-11,14,16,19,30,32H,1-2,7-9,12-13H2,(H,29,33)/t14-,16-,19-/m1/s1
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| InChIKey |
OOWYMHRDEXOGEM-IDHHARJASA-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