General Information of the Compound
| Compound ID |
CP0536611
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| Compound Name |
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-1,3-benzoxazol-5-yl]propanamide
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| Structure |
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| Formula |
C31H29N3O5
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| Molecular Weight |
523.589
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(NC(=O)CCN2CCc3ccccc3C2)cc2nc(oc12)-c1ccco1
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| InChI |
InChI=1S/C31H29N3O5/c1-36-26-10-9-21(16-28(26)37-2)24-17-23(18-25-30(24)39-31(33-25)27-8-5-15-38-27)32-29(35)12-14-34-13-11-20-6-3-4-7-22(20)19-34/h3-10,15-18H,11-14,19H2,1-2H3,(H,32,35)
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| InChIKey |
ZYXXHCQSRCDROT-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