General Information of the Compound
| Compound ID |
CP0946549
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| Compound Name |
[2-(1H-Indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-carbamic acid 1H-imidazol-4-ylmethyl ester
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| Structure |
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| Formula |
C21H27N5O3
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| Molecular Weight |
397.479
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| Canonical SMILES |
CC(C)CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1
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| InChI |
InChI=1S/C21H27N5O3/c1-14(2)7-8-23-20(27)19(26-21(28)29-12-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)
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| InChIKey |
XMLFNBQRGLNRSH-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