General Information of the Compound
| Compound ID |
CP0899198
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| Compound Name |
(S)-(4-((4-Ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
CCOc1nc(Nc2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2OC)nc2[nH]ccc12
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| InChI |
InChI=1S/C23H28N6O3/c1-3-32-21-17-8-9-24-20(17)26-23(27-21)25-18-7-6-15(13-19(18)31-2)22(30)29-12-11-28-10-4-5-16(28)14-29/h6-9,13,16H,3-5,10-12,14H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1
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| InChIKey |
DBMBMBNEFVQIKO-INIZCTEOSA-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