General Information of the Compound
| Compound ID |
CP0951092
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3-hydroxy-4-morpholino-pyrrolidin-1-yl)methanone
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| Formula |
C27H28F3N3O3
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| Molecular Weight |
499.533
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC(O)C(N2CCOCC2)C1
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| InChI |
InChI=1S/C27H28F3N3O3/c28-18-3-1-15(2-4-18)25-24(20-11-19(29)12-21(30)26(20)31-25)16-9-17(10-16)27(35)33-13-22(23(34)14-33)32-5-7-36-8-6-32/h1-4,11-12,16-17,22-23,31,34H,5-10,13-14H2/t16-,17-,22?,23?
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| InChIKey |
VXDXZBPNKCJPEM-CFZVCUOASA-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