General Information of the Compound
| Compound ID |
CP0502963
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| Compound Name |
[1-bromo-6-(heptylcarbamoyl)naphthalen-2-yl] N,N-dimethylcarbamate
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| Structure |
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| Formula |
C21H27BrN2O3
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| Molecular Weight |
435.362
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| Canonical SMILES |
CCCCCCCNC(=O)c1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
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| InChI |
InChI=1S/C21H27BrN2O3/c1-4-5-6-7-8-13-23-20(25)16-9-11-17-15(14-16)10-12-18(19(17)22)27-21(26)24(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,23,25)
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| InChIKey |
SNTXDCAUFNZZBA-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