General Information of the Compound
| Compound ID |
CP0197394
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| Compound Name |
3-[[N-cyano-N'-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]carbamimidoyl]amino]benzamide
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| Structure |
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| Formula |
C24H25N7O2
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| Molecular Weight |
443.511
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| Canonical SMILES |
NC(=O)c1cccc(NC(Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)=NC#N)c1
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| InChI |
InChI=1S/C24H25N7O2/c25-16-29-24(31-21-5-1-3-18(13-21)23(26)33)30-20-8-6-17(7-9-20)10-12-28-15-22(32)19-4-2-11-27-14-19/h1-9,11,13-14,22,28,32H,10,12,15H2,(H2,26,33)(H2,29,30,31)/t22-/m0/s1
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| InChIKey |
UPWFWUGEOVNJIM-QFIPXVFZSA-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