General Information of the Compound
| Compound ID |
CP0504777
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| Compound Name |
3-[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-phenyl]-6-phenyl-1-oxa-7-aza-spiro[4.5]decane
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| Structure |
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| Formula |
C23H24F3N5O2
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| Molecular Weight |
459.472
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| Canonical SMILES |
COc1ccc(cc1[C@H]1COC2(C1)CCCNC2c1ccccc1)-n1nnnc1C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5O2/c1-32-19-9-8-17(31-21(23(24,25)26)28-29-30-31)12-18(19)16-13-22(33-14-16)10-5-11-27-20(22)15-6-3-2-4-7-15/h2-4,6-9,12,16,20,27H,5,10-11,13-14H2,1H3/t16-,20?,22?/m1/s1
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| InChIKey |
MIDMGQDYUATQRC-MIJUQJRQSA-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