General Information of the Compound
| Compound ID |
CP0559579
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| Compound Name |
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
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| Structure |
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| Formula |
C20H19ClN2O5S
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| Molecular Weight |
434.901
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| Canonical SMILES |
NC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)sc2CCCc12
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| InChI |
InChI=1S/C20H19ClN2O5S/c21-12-6-4-11(5-7-12)14(24)8-9-17(26)28-10-16(25)23-20-18(19(22)27)13-2-1-3-15(13)29-20/h4-7H,1-3,8-10H2,(H2,22,27)(H,23,25)
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| InChIKey |
WNDRJLSKKZLEDF-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