General Information of the Compound
| Compound ID |
CP0913652
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C24H22N6O2S
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| Molecular Weight |
458.547
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1-c1nc2sccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H22N6O2S/c1-14-18(13-26-30(14)24-27-21(31)17-8-11-33-22(17)28-24)23(32)29-9-6-15(7-10-29)19-12-25-20-5-3-2-4-16(19)20/h2-5,8,11-13,15,25H,6-7,9-10H2,1H3,(H,27,28,31)
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| InChIKey |
NZHMKOVBAFDGHW-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