General Information of the Compound
| Compound ID |
CP0410016
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| Compound Name |
CHEMBL3287876
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| Formula |
C30H29F3N2O4
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| Molecular Weight |
538.566
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C30H29F3N2O4/c31-30(32,33)24-3-1-2-4-25(24)34-29(38)35-15-16-39-27-18-23(13-14-26(27)35)22-11-9-21(10-12-22)20-7-5-19(6-8-20)17-28(36)37/h1-4,9-14,18-20H,5-8,15-17H2,(H,34,38)(H,36,37)/t19-,20-
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| InChIKey |
BVMLOBBNONPIAV-MXVIHJGJSA-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