General Information of the Compound
| Compound ID |
CP0969592
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(6S)-6-(hydroxymethyl)-7-oxa-4-azaspiro[2.5]octan-4-yl]methanone
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| Formula |
C26H25F3N2O3
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| Molecular Weight |
470.491
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1C[C@@H](CO)OCC12CC2
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| InChI |
InChI=1S/C26H25F3N2O3/c27-17-3-1-14(2-4-17)23-22(20-9-18(28)10-21(29)24(20)30-23)15-7-16(8-15)25(33)31-11-19(12-32)34-13-26(31)5-6-26/h1-4,9-10,15-16,19,30,32H,5-8,11-13H2/t15-,16-,19-/m0/s1
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| InChIKey |
QFOMIVFCBXUTRU-BXWFABGCSA-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