General Information of the Compound
| Compound ID |
CP0555318
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| Compound Name |
N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-2-(7-methoxy-2-methyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)acetamide
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| Formula |
C42H52ClN3O4
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| Molecular Weight |
698.348
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| Canonical SMILES |
COc1cc2OC(C)(CC(=O)NCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1
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| InChI |
InChI=1S/C42H52ClN3O4/c1-42(22-21-31-25-39(38(48-2)27-37(31)50-42)49-29-30-15-9-8-10-16-30)28-40(47)44-23-13-6-4-3-5-7-14-24-45-41-33-17-11-12-18-35(33)46-36-26-32(43)19-20-34(36)41/h8-10,15-16,19-20,25-27H,3-7,11-14,17-18,21-24,28-29H2,1-2H3,(H,44,47)(H,45,46)
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| InChIKey |
OMCLEUFICTWJAY-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