General Information of the Compound
| Compound ID |
CP0463535
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| Compound Name |
5-(5,9-Diphenyl-1,7-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 |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
O=c1[nH]nc(CN2CCOC3(CCC(CO3)c3ccccc3)C2c2ccccc2)[nH]1
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| InChI |
InChI=1S/C23H26N4O3/c28-22-24-20(25-26-22)15-27-13-14-29-23(21(27)18-9-5-2-6-10-18)12-11-19(16-30-23)17-7-3-1-4-8-17/h1-10,19,21H,11-16H2,(H2,24,25,26,28)
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| InChIKey |
OFVLRXHTQBIQPR-UHFFFAOYSA-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