General Information of the Compound
| Compound ID |
CP0861088
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| Compound Name |
(2R,6S)-2,6-Dimethyl-morpholine-4-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 |
C23H36Cl2N4O4S
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| Molecular Weight |
535.538
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| Canonical SMILES |
C[C@@H]1CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C[C@H](C)O1.Cl.Cl
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| InChI |
InChI=1S/C23H34N4O4S.2ClH/c1-17-15-27(16-18(2)31-17)32(29,30)26-21-9-7-19(8-10-21)12-23(3,4)25-14-22(28)20-6-5-11-24-13-20;;/h5-11,13,17-18,22,25-26,28H,12,14-16H2,1-4H3;2*1H/t17-,18+,22-;;/m0../s1
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| InChIKey |
MYINDIWOVSCZPF-XZFLXHOMSA-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