General Information of the Compound
| Compound ID |
CP0388396
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| Compound Name |
N-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenyl]-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]butanamide
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| Structure |
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| Formula |
C31H44N6O6
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| Molecular Weight |
596.729
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| Canonical SMILES |
CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1
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| InChI |
InChI=1S/C31H44N6O6/c1-31(2,33-18-25(39)23-10-11-24(38)29-30(23)43-20-28(42)35-29)17-21-6-8-22(9-7-21)34-26(40)5-4-12-32-27(41)19-37-15-13-36(3)14-16-37/h6-11,25,33,38-39H,4-5,12-20H2,1-3H3,(H,32,41)(H,34,40)(H,35,42)
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| InChIKey |
HTVRMSIYWXZESL-UHFFFAOYSA-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