General Information of the Compound
| Compound ID |
CP0452107
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| Compound Name |
N-[4-[5-[3-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3-oxopropoxy]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
CN(C)CCNC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C
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| InChI |
InChI=1S/C29H34N6O3/c1-29(2,27(37)30-16-17-34(3)4)19-38-28-33-32-25(35(28)5)21-12-14-24(15-13-21)31-26(36)23-11-10-20-8-6-7-9-22(20)18-23/h6-15,18H,16-17,19H2,1-5H3,(H,30,37)(H,31,36)
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| InChIKey |
RVRRCQOMAPHLDL-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