General Information of the Compound
| Compound ID |
CP0493397
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| Compound Name |
(+/-)-methyl(1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutylcarbamate
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| Structure |
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| Formula |
C23H35N5O2
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| Molecular Weight |
413.566
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| Canonical SMILES |
COC(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1
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| InChI |
InChI=1S/C23H35N5O2/c1-16(2)22-26-25-18(4)28(22)20-11-13-27(14-12-20)17(3)15-21(24-23(29)30-5)19-9-7-6-8-10-19/h6-10,16-17,20-21H,11-15H2,1-5H3,(H,24,29)/t17?,21-/m0/s1
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| InChIKey |
YQVJZAZAEVJHAM-LFABVHOISA-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