General Information of the Compound
| Compound ID |
CP0500915
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| Compound Name |
[(3aR,6aS)-2-pyrimidin-4-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)c1ccncn1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H28N4O/c26-20(21-6-14-3-15(7-21)5-16(4-14)8-21)25-11-17-9-24(10-18(17)12-25)19-1-2-22-13-23-19/h1-2,13-18H,3-12H2/t14?,15?,16?,17-,18+,21?
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| InChIKey |
MYTOPZVZKSDUHV-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