General Information of the Compound
| Compound ID |
CP0410023
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| Compound Name |
CHEMBL3287873
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| Formula |
C30H28F4N2O4
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| Molecular Weight |
556.556
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1cc(ccc1F)C(F)(F)F
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| InChI |
InChI=1S/C30H28F4N2O4/c31-24-11-10-23(30(32,33)34)17-25(24)35-29(39)36-13-14-40-27-16-22(9-12-26(27)36)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-28(37)38/h5-12,16-19H,1-4,13-15H2,(H,35,39)(H,37,38)/t18-,19-
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| InChIKey |
CMODDFLJJAGBRI-WGSAOQKQSA-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