General Information of the Compound
| Compound ID |
CP0567672
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| Compound Name |
(2S)-1-[2-[4-[3-(2-aminoethyldisulfanyl)propoxy]-3-methoxyphenyl]ethylamino]-3-naphthalen-1-yloxypropan-2-ol
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| Structure |
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| Formula |
C27H36N2O4S2
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| Molecular Weight |
516.729
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| Canonical SMILES |
COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN
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| InChI |
InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m0/s1
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| InChIKey |
QJSQCJQXYAAGGS-QHCPKHFHSA-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor