General Information of the Compound
| Compound ID |
CP0944285
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| Compound Name |
1-(1-[4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]-1H-pyrazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C22H18N6O2S
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| Molecular Weight |
430.493
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| Canonical SMILES |
N#CC1(c2ccccc2)CCN(C(=O)c2cnn(-c3nc4ccsc4c(=O)[nH]3)c2)CC1
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| InChI |
InChI=1S/C22H18N6O2S/c23-14-22(16-4-2-1-3-5-16)7-9-27(10-8-22)20(30)15-12-24-28(13-15)21-25-17-6-11-31-18(17)19(29)26-21/h1-6,11-13H,7-10H2,(H,25,26,29)
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| InChIKey |
IDQGJZBQOYSDJH-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