General Information of the Compound
| Compound ID |
CP0426132
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| Compound Name |
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
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| Structure |
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
NC(=O)c1c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)sc2CCCc12
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| InChI |
InChI=1S/C22H23N3O4S/c23-21(28)20-15-7-4-9-17(15)30-22(20)25-18(26)12-29-19(27)10-3-5-13-11-24-16-8-2-1-6-14(13)16/h1-2,6,8,11,24H,3-5,7,9-10,12H2,(H2,23,28)(H,25,26)
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| InChIKey |
WGRSBOXHROVFPZ-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor