General Information of the Compound
| Compound ID |
CP0231658
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| Compound Name |
4-amino-N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]-3-bromobenzenesulfonamide
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| Formula |
C23H30BrClN4O4S
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| Molecular Weight |
573.941
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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| InChI |
InChI=1S/C23H30BrClN4O4S/c1-33-23-14-21(27)19(25)13-17(23)22(30)5-2-15-6-9-29(10-7-15)11-8-28-34(31,32)16-3-4-20(26)18(24)12-16/h3-4,12-15,28H,2,5-11,26-27H2,1H3
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| InChIKey |
LGPOBVLZHCYRKV-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