General Information of the Compound
| Compound ID |
CP0548327
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[2-methoxy-4-(trifluoromethoxy)phenyl]methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C24H29F3N6O4
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| Molecular Weight |
522.528
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| Canonical SMILES |
COc1cc(OC(F)(F)F)ccc1CNc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H29F3N6O4/c1-14(2)33-13-18-20(22(33)35)29-23(32-9-7-31(8-10-32)15(3)34)30-21(18)28-12-16-5-6-17(11-19(16)36-4)37-24(25,26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,28,29,30)
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| InChIKey |
BGLNPGCRIGALDL-UHFFFAOYSA-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