General Information of the Compound
| Compound ID |
CP0315753
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C25H33FN6O3
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| Molecular Weight |
484.576
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| Canonical SMILES |
CCOc1ccc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C25H33FN6O3/c1-6-35-21-8-7-18(13-20(21)26)16(4)27-23-19-14-32(15(2)3)24(34)22(19)28-25(29-23)31-11-9-30(10-12-31)17(5)33/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,27,28,29)/t16-/m1/s1
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| InChIKey |
UWGMYBLNCMZZFK-MRXNPFEDSA-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