General Information of the Compound
| Compound ID |
CP0393745
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| Compound Name |
(R)-N-(1-acetyl-4-(4-((1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C42H46N8O5
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| Molecular Weight |
742.881
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| Canonical SMILES |
CC(=O)N1c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2[C@](C)(CC1(C)C)c1ccc(OCc2cn(CCOCCOCCN=[N+]=[N-])nn2)cc1
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| InChI |
InChI=1S/C42H46N8O5/c1-30(51)50-39-19-16-35(45-40(52)33-12-10-32(11-13-33)31-8-6-5-7-9-31)26-38(39)42(4,29-41(50,2)3)34-14-17-37(18-15-34)55-28-36-27-49(48-46-36)21-23-54-25-24-53-22-20-44-47-43/h5-19,26-27H,20-25,28-29H2,1-4H3,(H,45,52)/t42-/m1/s1
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| InChIKey |
OPXOWGCLWBBZBP-HUESYALOSA-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