General Information of the Compound
| Compound ID |
CP0400716
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| Compound Name |
CHEMBL3287887
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| Formula |
C29H30N6O2
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| Molecular Weight |
494.599
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| Canonical SMILES |
O=C(Nc1ccccc1)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1
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| InChI |
InChI=1S/C29H30N6O2/c36-29(30-25-4-2-1-3-5-25)35-16-17-37-27-19-24(14-15-26(27)35)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-28-31-33-34-32-28/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,36)(H,31,32,33,34)/t20-,21-
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| InChIKey |
BDFNWCJWLVVMQD-MEMLXQNLSA-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