General Information of the Compound
| Compound ID |
CP0217496
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| Compound Name |
3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-(3-propan-2-yloxyphenyl)-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 |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H27N5O2S/c1-17(2)34-22-9-5-8-21(12-22)32-14-23-25(33)31(3)26(29)30-27(23,16-32)24-11-20(15-35-24)19-7-4-6-18(10-19)13-28/h4-12,15,17,23H,14,16H2,1-3H3,(H2,29,30)/t23-,27-/m0/s1
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| InChIKey |
XVWWYKYWXIEDOL-HOFKKMOUSA-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