General Information of the Compound
| Compound ID |
CP0426987
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| Compound Name |
5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C18H18N4S
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| Molecular Weight |
322.437
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
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| InChI |
InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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| InChIKey |
RCZNQWQDJPJWMD-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor