General Information of the Compound
| Compound ID |
CP0962085
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C23H20N6O2S
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| Molecular Weight |
444.52
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| Canonical SMILES |
O=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(c2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C23H20N6O2S/c30-21-20-19(7-10-32-20)26-23(27-21)29-13-15(11-25-29)22(31)28-8-5-14(6-9-28)17-12-24-18-4-2-1-3-16(17)18/h1-4,7,10-14,24H,5-6,8-9H2,(H,26,27,30)
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| InChIKey |
QOCFUCTVDZQPNO-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