General Information of the Compound
| Compound ID |
CP0761001
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| Compound Name |
(R)-2-(4-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyrazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H18N6O2S
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| Molecular Weight |
370.438
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| Canonical SMILES |
O=C(c1cnn(-c2nc3sccc3c(=O)[nH]2)c1)N1CCN2CCC[C@@H]2C1
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| InChI |
InChI=1S/C17H18N6O2S/c24-14-13-3-7-26-15(13)20-17(19-14)23-9-11(8-18-23)16(25)22-6-5-21-4-1-2-12(21)10-22/h3,7-9,12H,1-2,4-6,10H2,(H,19,20,24)/t12-/m1/s1
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| InChIKey |
ZYGYLUJKKSYBDA-GFCCVEGCSA-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