General Information of the Compound
| Compound ID |
CP0429908
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)propanamide
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc12
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| InChI |
InChI=1S/C26H29N5O2/c1-31-23-7-3-2-6-22(23)30-25(31)12-13-26(33)29-21-10-8-19(9-11-21)14-16-28-18-24(32)20-5-4-15-27-17-20/h2-11,15,17,24,28,32H,12-14,16,18H2,1H3,(H,29,33)/t24-/m0/s1
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| InChIKey |
YDWFSEKAZCJKNR-DEOSSOPVSA-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