General Information of the Compound
| Compound ID |
CP0372776
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| Compound Name |
4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)-2-isopropoxybenzoic Acid
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| Structure |
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| Formula |
C28H30ClNO4
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| Molecular Weight |
480.004
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H30ClNO4/c1-17(2)34-27-15-21(8-12-25(27)28(32)33)20-4-3-18-7-11-24(14-22(18)13-20)30-16-26(31)19-5-9-23(29)10-6-19/h3-6,8-10,12-13,15,17,24,26,30-31H,7,11,14,16H2,1-2H3,(H,32,33)/t24-,26-/m0/s1
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| InChIKey |
GIANIUAUTNMTHQ-AHWVRZQESA-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