General Information of the Compound
| Compound ID |
CP0409159
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| Compound Name |
(S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C28H33N5O5
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| Molecular Weight |
519.602
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| Canonical SMILES |
CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
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| InChI |
InChI=1S/C28H33N5O5/c1-4-33-25-22(32-27(33)36)6-5-7-23(25)37-17-20(34)16-31-28(2,3)14-18-8-11-21(12-9-18)38-24-13-10-19(15-30-24)26(29)35/h5-13,15,20,31,34H,4,14,16-17H2,1-3H3,(H2,29,35)(H,32,36)/t20-/m0/s1
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| InChIKey |
XUDGCOWUVGYAJW-FQEVSTJZSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor