General Information of the Compound
| Compound ID |
CP0458729
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| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-2-[4-(1,2,3-thiadiazol-4-yl)phenoxy]acetamide
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| Structure |
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| Formula |
C31H31N5O4S
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| Molecular Weight |
569.687
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| Canonical SMILES |
COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(cc1)-c1csnn1)C(C)=O
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| InChI |
InChI=1S/C31H31N5O4S/c1-21(37)36(17-23-7-3-6-10-30(23)39-2)18-25(15-24-16-32-28-9-5-4-8-27(24)28)33-31(38)19-40-26-13-11-22(12-14-26)29-20-41-35-34-29/h3-14,16,20,25,32H,15,17-19H2,1-2H3,(H,33,38)/t25-/m1/s1
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| InChIKey |
JIYMZYDKZMRNFP-RUZDIDTESA-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