General Information of the Compound
| Compound ID |
CP0462264
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| Compound Name |
CHEMBL4439533
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
Cc1nnc(Nc2ccc(nc2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)o1
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| InChI |
InChI=1S/C22H24N4O3/c1-14-25-26-22(29-14)24-19-10-11-20(23-13-19)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-21(27)28/h6-11,13,15-16H,2-5,12H2,1H3,(H,24,26)(H,27,28)/t15-,16-
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| InChIKey |
XBESUWXKHAMBQU-WKILWMFISA-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1