General Information of the Compound
| Compound ID |
CP0420977
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-[6-(4-pyridin-2-ylphenoxy)pyridin-3-yl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C39H38N4O4
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| Molecular Weight |
626.757
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)C4CC4c4ccc(Oc5ccc(cc5)-c5ccccn5)nc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C39H38N4O4/c1-45-36-21-28-17-20-43(25-30(28)22-37(36)46-2)19-16-26-6-11-31(12-7-26)42-39(44)34-23-33(34)29-10-15-38(41-24-29)47-32-13-8-27(9-14-32)35-5-3-4-18-40-35/h3-15,18,21-22,24,33-34H,16-17,19-20,23,25H2,1-2H3,(H,42,44)
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| InChIKey |
IAKQBYMBSKWIRL-UHFFFAOYSA-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