General Information of the Compound
| Compound ID |
CP0390716
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| Compound Name |
[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-adamantyl)methanone
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ncccn1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H28N4O/c26-19(21-7-14-4-15(8-21)6-16(5-14)9-21)24-10-17-12-25(13-18(17)11-24)20-22-2-1-3-23-20/h1-3,14-18H,4-13H2/t14?,15?,16?,17-,18+,21?
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| InChIKey |
VVJJUPZCIIMXIW-MFCSDITOSA-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