General Information of the Compound
| Compound ID |
CP0497042
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| Compound Name |
1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(2-methoxyphenyl)urea
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C26H31N3O5/c1-33-25-10-6-5-9-24(25)29-26(32)28-20-13-11-19(12-14-20)15-21(17-30)27-16-22(31)18-34-23-7-3-2-4-8-23/h2-14,21-22,27,30-31H,15-18H2,1H3,(H2,28,29,32)/t21-,22-/m0/s1
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| InChIKey |
STRWSSNCXNGKII-VXKWHMMOSA-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: PT01493, Beta-3 adrenergic receptor