General Information of the Compound
| Compound ID |
CP0579169
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| Compound Name |
(S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-cyanophenyl)pyridin-2-yl)carbamate
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| Structure |
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| Formula |
C21H26N4O3
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| Molecular Weight |
382.464
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| Canonical SMILES |
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N
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| InChI |
InChI=1S/C21H26N4O3/c1-14(2)11-21(3,23)13-28-18-6-5-15(9-17(18)12-22)16-7-8-24-19(10-16)25-20(26)27-4/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
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| InChIKey |
LJJCAJZWKRIPDY-NRFANRHFSA-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