General Information of the Compound
| Compound ID |
CP0970311
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| Compound Name |
trans-(2S)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]-N-ethyl-pyrrolidine-2-carboxamide
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C26H26F3N3O2/c1-2-30-25(33)21-4-3-9-32(21)26(34)16-10-15(11-16)22-19-12-18(28)13-20(29)24(19)31-23(22)14-5-7-17(27)8-6-14/h5-8,12-13,15-16,21,31H,2-4,9-11H2,1H3,(H,30,33)/t15-,16-,21-/m0/s1
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| InChIKey |
GTPVMQQRCUKFET-QYWGDWMGSA-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