General Information of the Compound
Compound ID
CP0562549
Compound Name
2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide
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Structure
Formula
C19H17FN2O4S
Molecular Weight
388.42
Canonical SMILES
CNC(=O)c1c(oc2cc3N(CCc3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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InChI
InChI=1S/C19H17FN2O4S/c1-21-19(23)17-14-9-12-7-8-22(27(2,24)25)15(12)10-16(14)26-18(17)11-3-5-13(20)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
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InChIKey
ZZTWFTQTMVOPEW-UHFFFAOYSA-N
Physicochemical Property
logP
2.9206
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
79.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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).

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PubChem ID
CID: 70800558
ChEMBL ID
CHEMBL4211675
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00013, RNA-directed RNA polymerase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 304 nM
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