General Information of the Compound
| Compound ID |
CP0408197
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| Compound Name |
(3R)-1-[(5aS,9aR)-1-benzyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
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| Structure |
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| Formula |
C26H29ClF3N5O
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| Molecular Weight |
519.999
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1CC[C@@H]2[C@@H](CCc3nnc(Cc4ccccc4)n23)C1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C26H28F3N5O.ClH/c27-20-14-22(29)21(28)12-18(20)11-19(30)13-26(35)33-9-8-23-17(15-33)6-7-24-31-32-25(34(23)24)10-16-4-2-1-3-5-16;/h1-5,12,14,17,19,23H,6-11,13,15,30H2;1H/t17-,19+,23+;/m0./s1
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| InChIKey |
LBBPJTJHRLKWLG-VJLVATBTSA-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