General Information of the Compound
| Compound ID |
CP0383760
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| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
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| Structure |
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| Formula |
C31H48N4O4
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| Molecular Weight |
540.749
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| Canonical SMILES |
CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C31H48N4O4/c1-2-3-4-5-6-7-19-33-31(38)35-21-17-27(18-22-35)34-26-10-8-25(9-11-26)16-20-32-23-29(37)24-39-30-14-12-28(36)13-15-30/h8-15,27,29,32,34,36-37H,2-7,16-24H2,1H3,(H,33,38)/t29-/m0/s1
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| InChIKey |
HPRDHOSSXGIXHM-LJAQVGFWSA-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor