General Information of the Compound
| Compound ID |
CP0869700
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| Compound Name |
N-(4-(((2S,5R)-5-((R)-Hydroxy(pyridin-3-yl)methyl)pyrrolidin-2-yl)methyl)phenyl)-2-(1H-pyrazol-1-yl)acetamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
O=C(Cn1cccn1)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1
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| InChI |
InChI=1S/C22H25N5O2/c28-21(15-27-12-2-11-24-27)26-18-6-4-16(5-7-18)13-19-8-9-20(25-19)22(29)17-3-1-10-23-14-17/h1-7,10-12,14,19-20,22,25,29H,8-9,13,15H2,(H,26,28)/t19-,20+,22+/m0/s1
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| InChIKey |
RJWXWUDJWASGPX-TUNNFDKTSA-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