General Information of the Compound
| Compound ID |
CP0555097
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| Compound Name |
(+/-)-N-(1-(3-bromo-4-(piperidin-4-yloxy)phenylsulfonyl)azepan-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C24H28BrCl2N3O4S
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| Molecular Weight |
605.382
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)NC1CCCCN(C1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1
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| InChI |
InChI=1S/C24H28BrCl2N3O4S/c25-20-14-19(5-7-23(20)34-18-8-10-28-11-9-18)35(32,33)30-12-2-1-3-17(15-30)29-24(31)16-4-6-21(26)22(27)13-16/h4-7,13-14,17-18,28H,1-3,8-12,15H2,(H,29,31)
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| InChIKey |
ZYASYQCDNTWGJR-UHFFFAOYSA-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