General Information of the Compound
| Compound ID |
CP0479469
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| Compound Name |
(R)-N-(1-(3-bromo-4-(piperidin-4-yloxy)phenylsulfonyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C22H24BrCl2N3O4S
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| Molecular Weight |
577.328
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N[C@@H]1CCN(C1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1
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| InChI |
InChI=1S/C22H24BrCl2N3O4S/c23-18-12-17(2-4-21(18)32-16-5-8-26-9-6-16)33(30,31)28-10-7-15(13-28)27-22(29)14-1-3-19(24)20(25)11-14/h1-4,11-12,15-16,26H,5-10,13H2,(H,27,29)/t15-/m1/s1
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| InChIKey |
KYAZIJKMIRPNBJ-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