General Information of the Compound
| Compound ID |
CP0462265
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| Compound Name |
CHEMBL4434994
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cn1
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| InChI |
InChI=1S/C25H28N4O3/c30-23(31)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22-13-12-21(15-26-22)27-25-29-28-24(32-25)20-2-1-3-20/h8-13,15-17,20H,1-7,14H2,(H,27,29)(H,30,31)/t16-,17-
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| InChIKey |
MPSPDEXLSVLZRT-QAQDUYKDSA-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