General Information of the Compound
| Compound ID |
CP0315751
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C24H29F3N6O3
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| Molecular Weight |
506.529
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C24H29F3N6O3/c1-14(2)33-13-19-20(22(33)35)29-23(32-11-9-31(10-12-32)16(4)34)30-21(19)28-15(3)17-5-7-18(8-6-17)36-24(25,26)27/h5-8,14-15H,9-13H2,1-4H3,(H,28,29,30)/t15-/m1/s1
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| InChIKey |
XFUQSGZNGBVIKN-OAHLLOKOSA-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