General Information of the Compound
| Compound ID |
CP0505755
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| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
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| Structure |
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| Formula |
C31H33N3O5
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| Molecular Weight |
527.621
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc2OCCOc2c1)C(C)=O
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| InChI |
InChI=1S/C31H33N3O5/c1-21(35)34(19-23-7-3-6-10-28(23)37-2)20-25(17-24-18-32-27-9-5-4-8-26(24)27)33-31(36)16-22-11-12-29-30(15-22)39-14-13-38-29/h3-12,15,18,25,32H,13-14,16-17,19-20H2,1-2H3,(H,33,36)
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| InChIKey |
MMEILICZTYWRDK-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