General Information of the Compound
| Compound ID |
CP0921625
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| Compound Name |
4-Benzyl-piperazine-1-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-2-methyl-propyl]-phenyl}-amide dihydrochloride
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| Structure |
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| Formula |
C28H39Cl2N5O3S
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| Molecular Weight |
596.625
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| Canonical SMILES |
CC(C)(Cc1ccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1.Cl.Cl
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| InChI |
InChI=1S/C28H37N5O3S.2ClH/c1-28(2,30-21-27(34)25-9-6-14-29-20-25)19-23-10-12-26(13-11-23)31-37(35,36)33-17-15-32(16-18-33)22-24-7-4-3-5-8-24;;/h3-14,20,27,30-31,34H,15-19,21-22H2,1-2H3;2*1H/t27-;;/m0../s1
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| InChIKey |
DUTQQAWEPCLMRN-LPCSYZHESA-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