General Information of the Compound
| Compound ID |
CP0416718
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-ethoxyphenyl)propyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C26H36N6O3
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| Molecular Weight |
480.613
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| Canonical SMILES |
CCOc1ccc(cc1)[C@@H](CC)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C26H36N6O3/c1-6-22(19-8-10-20(11-9-19)35-7-2)27-24-21-16-32(17(3)4)25(34)23(21)28-26(29-24)31-14-12-30(13-15-31)18(5)33/h8-11,17,22H,6-7,12-16H2,1-5H3,(H,27,28,29)/t22-/m1/s1
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| InChIKey |
PQCXBWVDXCTDMT-JOCHJYFZSA-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