General Information of the Compound
| Compound ID |
CP0921011
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| Compound Name |
1-Benzo[b]thiophen-3-yl-3-[1-(4-nitrophenyl)-(R)-pyrrolidin-3-ylamino]propan-1-one
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| Structure |
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| Formula |
C21H21N3O3S
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| Molecular Weight |
395.484
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| Canonical SMILES |
O=C(CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc2ccccc12
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| InChI |
InChI=1S/C21H21N3O3S/c25-20(19-14-28-21-4-2-1-3-18(19)21)9-11-22-15-10-12-23(13-15)16-5-7-17(8-6-16)24(26)27/h1-8,14-15,22H,9-13H2/t15-/m1/s1
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| InChIKey |
KPIVRCFLGTVBTF-OAHLLOKOSA-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