General Information of the Compound
| Compound ID |
CP0395012
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-(4-methylpentyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C29H35N5O4S
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| Molecular Weight |
549.697
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| Canonical SMILES |
CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C29H35N5O4S/c1-21(2)5-3-7-28-32-29(33-38-28)23-10-14-26(15-11-23)39(36,37)34-25-12-8-22(9-13-25)16-18-31-20-27(35)24-6-4-17-30-19-24/h4,6,8-15,17,19,21,27,31,34-35H,3,5,7,16,18,20H2,1-2H3/t27-/m0/s1
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| InChIKey |
NBNRSFFDMVCNEX-MHZLTWQESA-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