General Information of the Compound
| Compound ID |
CP0465260
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| Compound Name |
5-{(5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-phenyl]-1,8-dioxa-4-aza-spiro[5.5]undec-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C26H26F4N8O4
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| Molecular Weight |
590.538
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| Canonical SMILES |
COc1ccc(cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F
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| InChI |
InChI=1S/C26H26F4N8O4/c1-40-20-7-6-18(38-23(26(28,29)30)33-35-36-38)10-19(20)16-11-25(14-41-13-16)22(15-2-4-17(27)5-3-15)37(8-9-42-25)12-21-31-24(39)34-32-21/h2-7,10,16,22H,8-9,11-14H2,1H3,(H2,31,32,34,39)/t16-,22+,25?/m1/s1
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| InChIKey |
NGVPDDZWSVJTDD-YKVDFPICSA-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