General Information of the Compound
| Compound ID |
CP0053091
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| Compound Name |
1,2,4-Oxadiazole Analogue 12d
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| Structure |
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| Formula |
C23H24F3N4O8P
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| Molecular Weight |
572.433
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
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| InChI |
InChI=1S/C23H24F3N4O8P/c1-13(32)27-18(10-14-4-8-17(9-5-14)38-39(34,35)36)21(33)28-19(12-31)22-29-20(30-37-22)11-15-2-6-16(7-3-15)23(24,25)26/h2-9,18-19,31H,10-12H2,1H3,(H,27,32)(H,28,33)(H2,34,35,36)/t18-,19-/m0/s1
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| InChIKey |
YAHVNVAURPCRLK-OALUTQOASA-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