General Information of the Compound
| Compound ID |
CP0407116
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| Compound Name |
CHEMBL3747356
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(cc2)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3c2nnco2)N1)c1ccccc1
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| InChI |
InChI=1S/C26H28N4O3/c31-24(17-4-2-1-3-5-17)22-11-10-19(28-22)12-16-6-8-18(9-7-16)26(32)30-13-20-21(14-30)23(20)25-29-27-15-33-25/h1-9,15,19-24,28,31H,10-14H2/t19-,20-,21+,22+,23+,24+/m0/s1
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| InChIKey |
XIZLMQMPAXXTME-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