General Information of the Compound
| Compound ID |
CP0142866
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| Compound Name |
(7R)-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)anilino]-7-ethyl-5-methyl-8-[(3-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
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| Structure |
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| Formula |
C29H38N6O2S
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| Molecular Weight |
534.73
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| Canonical SMILES |
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1
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| InChI |
InChI=1S/C29H38N6O2S/c1-6-23-28(36)34(5)24-17-30-29(32-27(24)35(23)18-26-19(3)12-15-38-26)31-22-9-8-21(16-25(22)37-7-2)20-10-13-33(4)14-11-20/h8-9,12,15-17,20,23H,6-7,10-11,13-14,18H2,1-5H3,(H,30,31,32)/t23-/m1/s1
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| InChIKey |
IJNMRIYHRCSVCO-HSZRJFAPSA-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