General Information of the Compound
| Compound ID |
CP0475271
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| Compound Name |
tert-butyl (4aR,5S,8aS)-4-[2-(3,4-dichlorophenyl)acetyl]-5-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxylate
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| Structure |
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| Formula |
C25H35Cl2N3O3
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| Molecular Weight |
496.479
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H35Cl2N3O3/c1-25(2,3)33-24(32)29-13-14-30(22(31)16-17-9-10-18(26)19(27)15-17)23-20(7-6-8-21(23)29)28-11-4-5-12-28/h9-10,15,20-21,23H,4-8,11-14,16H2,1-3H3/t20-,21-,23+/m0/s1
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| InChIKey |
QYKOMVKBDKOREW-QNWVGRARSA-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