General Information of the Compound
| Compound ID |
CP0461104
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| Compound Name |
7-(1H-Imidazol-4-ylmethyl)-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 |
C27H28F3N7O2
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| Molecular Weight |
539.562
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| Canonical SMILES |
COc1ccc(cc1[C@H]1COC2(C1)CCCN(Cc1cnc[nH]1)C2c1ccccc1)-n1nnnc1C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N7O2/c1-38-23-9-8-21(37-25(27(28,29)30)33-34-35-37)12-22(23)19-13-26(39-16-19)10-5-11-36(15-20-14-31-17-32-20)24(26)18-6-3-2-4-7-18/h2-4,6-9,12,14,17,19,24H,5,10-11,13,15-16H2,1H3,(H,31,32)/t19-,24?,26?/m1/s1
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| InChIKey |
MPAHEXNEQNYRLC-DJOCHQMASA-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