General Information of the Compound
| Compound ID |
CP0953076
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methanone
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| Formula |
C25H23F3N2O2
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| Molecular Weight |
440.465
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC2(CC(O)C2)C1
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| InChI |
InChI=1S/C25H23F3N2O2/c26-16-3-1-13(2-4-16)22-21(19-7-17(27)8-20(28)23(19)29-22)14-5-15(6-14)24(32)30-11-25(12-30)9-18(31)10-25/h1-4,7-8,14-15,18,29,31H,5-6,9-12H2/t14-,15-
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| InChIKey |
QUSWITJENRFKCE-SHTZXODSSA-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