General Information of the Compound
| Compound ID |
CP0073015
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| Compound Name |
3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-pyridin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
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| Structure |
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| Formula |
C23H20N6OS
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| Molecular Weight |
428.521
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| Canonical SMILES |
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccn1)c1cc(cs1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C23H20N6OS/c1-28-21(30)18-12-29(20-7-2-3-8-26-20)14-23(18,27-22(28)25)19-10-17(13-31-19)16-6-4-5-15(9-16)11-24/h2-10,13,18H,12,14H2,1H3,(H2,25,27)/t18-,23-/m0/s1
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| InChIKey |
IDHCKDOPLBRJHJ-MBSDFSHPSA-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