General Information of the Compound
| Compound ID |
CP0577682
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| Compound Name |
(6S)-13-(ethylamino)-8-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
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| Structure |
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| Formula |
C21H23N7O2
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| Molecular Weight |
405.462
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| Canonical SMILES |
CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc(c1)-c1noc(C)n1)C2=O
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| InChI |
InChI=1S/C21H23N7O2/c1-3-22-21-23-11-17-19(25-21)27-9-5-8-16(27)12-28(20(17)29)15-7-4-6-14(10-15)18-24-13(2)30-26-18/h4,6-7,10-11,16H,3,5,8-9,12H2,1-2H3,(H,22,23,25)/t16-/m0/s1
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| InChIKey |
YGXYMHVIWJXJFG-INIZCTEOSA-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