General Information of the Compound
| Compound ID |
CP0148856
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| Compound Name |
CHEMBL3745890
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
Cn1nnc(n1)[C@@H]1[C@H]2CN(C[C@@H]12)C(=O)c1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H30N6O2/c1-31-29-25(28-30-31)23-20-14-32(15-21(20)23)26(34)18-9-7-16(8-10-18)13-19-11-12-22(27-19)24(33)17-5-3-2-4-6-17/h2-10,19-24,27,33H,11-15H2,1H3/t19-,20-,21+,22+,23+,24+/m0/s1
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| InChIKey |
WHNAPNLSRNYPOS-ZJCHSKCTSA-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