General Information of the Compound
| Compound ID |
CP0565435
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| Compound Name |
N-[5-[1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-propanoylphenyl]naphthalene-2-carboxamide
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| Formula |
C41H39N5O4
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| Molecular Weight |
665.794
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2c1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C41H39N5O4/c1-4-38(47)35-16-13-31(22-36(35)42-41(48)32-12-11-28-7-5-6-8-29(28)21-32)37-26-46(44-43-37)34-14-9-27(10-15-34)17-19-45-20-18-30-23-39(49-2)40(50-3)24-33(30)25-45/h5-16,21-24,26H,4,17-20,25H2,1-3H3,(H,42,48)
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| InChIKey |
BHPUGQPFRNQHJE-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