General Information of the Compound
| Compound ID |
CP0726218
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H21N5O2S
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| Molecular Weight |
455.543
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| Canonical SMILES |
O=C(c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(c2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C25H21N5O2S/c31-24-22-20(8-12-33-22)28-23(29-24)21-13-16(5-9-26-21)25(32)30-10-6-15(7-11-30)18-14-27-19-4-2-1-3-17(18)19/h1-5,8-9,12-15,27H,6-7,10-11H2,(H,28,29,31)
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| InChIKey |
UXTWQFFKOZIIBD-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