General Information of the Compound
| Compound ID |
CP0471946
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| Compound Name |
methyl N-[3-(2-acetamidoethyl)-2-iodo-1H-indol-5-yl]carbamate
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| Structure |
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| Formula |
C14H16IN3O3
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| Molecular Weight |
401.204
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| Canonical SMILES |
COC(=O)Nc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)
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| InChIKey |
BMRSKORHUNWKLU-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