General Information of the Compound
| Compound ID |
CP0969295
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3-hydroxy-3-methyl-azetidin-1-yl)methanone
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| Formula |
C23H21F3N2O2
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| Molecular Weight |
414.427
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| Canonical SMILES |
CC1(O)CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C23H21F3N2O2/c1-23(30)10-28(11-23)22(29)14-6-13(7-14)19-17-8-16(25)9-18(26)21(17)27-20(19)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,27,30H,6-7,10-11H2,1H3/t13-,14-
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| InChIKey |
XKOFUQYPZBWALW-HDJSIYSDSA-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