General Information of the Compound
| Compound ID |
CP0580012
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| Compound Name |
methyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-2,3-dimethylphenyl]pyridin-2-yl]carbamate
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| Structure |
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| Formula |
C22H31N3O3
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| Molecular Weight |
385.508
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| Canonical SMILES |
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1C
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| InChI |
InChI=1S/C22H31N3O3/c1-14(2)12-22(5,23)13-28-19-8-7-18(15(3)16(19)4)17-9-10-24-20(11-17)25-21(26)27-6/h7-11,14H,12-13,23H2,1-6H3,(H,24,25,26)/t22-/m0/s1
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| InChIKey |
LFYHQHOSMHERPO-QFIPXVFZSA-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