General Information of the Compound
| Compound ID |
CP0496053
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| Compound Name |
N-[4-[5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C28H31N5O3
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| Molecular Weight |
485.588
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| Canonical SMILES |
CC(C)NC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C
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| InChI |
InChI=1S/C28H31N5O3/c1-18(2)29-26(35)28(3,4)17-36-27-32-31-24(33(27)5)20-12-14-23(15-13-20)30-25(34)22-11-10-19-8-6-7-9-21(19)16-22/h6-16,18H,17H2,1-5H3,(H,29,35)(H,30,34)
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| InChIKey |
HGVAUKDAUUZGRV-UHFFFAOYSA-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1