General Information of the Compound
| Compound ID |
CP0475168
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| Compound Name |
4-[(1R,7R,7aR)-7-hydroxy-3-oxo-1-(trifluoromethyl)-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl]-2-chloro-3-methylbenzonitrile
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| Structure |
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| Formula |
C15H13ClF3N3O2
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| Molecular Weight |
359.735
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| Canonical SMILES |
Cc1c(Cl)c(ccc1N1[C@H]([C@@H]2[C@H](O)CCN2C1=O)C(F)(F)F)C#N
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| InChI |
InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)22-13(15(17,18)19)12-10(23)4-5-21(12)14(22)24/h2-3,10,12-13,23H,4-5H2,1H3/t10-,12+,13-/m1/s1
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| InChIKey |
XMBLXQQNSLMANW-KGYLQXTDSA-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