General Information of the Compound
| Compound ID |
CP0410022
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| Compound Name |
CHEMBL3287866
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
C[C@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34)/t20-,21-,22-/m0/s1
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| InChIKey |
NJUONLYAPKDMEZ-FKBYEOEOSA-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