General Information of the Compound
| Compound ID |
CP0364709
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| Compound Name |
N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-3-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)propanamide
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| Formula |
C34H44ClN3O4
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| Molecular Weight |
594.196
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| Canonical SMILES |
COc1cc2OC(C)(CCC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O
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| InChI |
InChI=1S/C34H44ClN3O4/c1-34(16-14-23-20-29(39)31(41-2)22-30(23)42-34)17-15-32(40)36-18-8-4-3-5-9-19-37-33-25-10-6-7-11-27(25)38-28-21-24(35)12-13-26(28)33/h12-13,20-22,39H,3-11,14-19H2,1-2H3,(H,36,40)(H,37,38)
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| InChIKey |
BBTQZRHMEIWKAX-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