General Information of the Compound
| Compound ID |
CP0196605
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| Compound Name |
4-Methyl-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C18H18N2S
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| Molecular Weight |
294.423
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| Canonical SMILES |
Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N
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| InChI |
InChI=1S/C18H18N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-9,20H,1-4H3
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| InChIKey |
CJZROCCAPJVVQO-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: PT01172, Progesterone receptor