General Information of the Compound
| Compound ID |
CP0942240
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| Compound Name |
2-(5-bromo-1H-indol-3-yl)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C26H30BrN3O
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| Molecular Weight |
480.45
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| Canonical SMILES |
O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C26H30BrN3O/c27-21-10-11-24-23(16-21)20(17-28-24)15-26(31)30-14-6-9-22(19-7-2-1-3-8-19)25(30)18-29-12-4-5-13-29/h1-3,7-8,10-11,16-17,22,25,28H,4-6,9,12-15,18H2/t22-,25+/m1/s1
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| InChIKey |
ZISXRRHFZTYUBC-RDGATRHJSA-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