General Information of the Compound
| Compound ID |
CP0405804
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| Compound Name |
4-[(1R,7R,7aR)-7-hydroxy-3-oxo-1-(propan-2-yl)-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl]-2-chloro-3-methylbenzonitrile
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| Structure |
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| Formula |
C17H20ClN3O2
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| Molecular Weight |
333.819
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| Canonical SMILES |
CC(C)[C@@H]1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C
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| InChI |
InChI=1S/C17H20ClN3O2/c1-9(2)15-16-13(22)6-7-20(16)17(23)21(15)12-5-4-11(8-19)14(18)10(12)3/h4-5,9,13,15-16,22H,6-7H2,1-3H3/t13-,15-,16+/m1/s1
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| InChIKey |
RSDGTWFEQYRSGQ-BMFZPTHFSA-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