General Information of the Compound
| Compound ID |
CP0500127
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| Compound Name |
US8969325, 112
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| Structure |
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| Formula |
C20H21N3O4
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| Molecular Weight |
367.405
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccccc2O1
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| InChI |
InChI=1S/C20H21N3O4/c1-20(2)10-15(13-5-3-4-6-16(13)27-20)23-19(25)21-12-7-8-17-14(9-12)22-18(24)11-26-17/h3-9,15H,10-11H2,1-2H3,(H,22,24)(H2,21,23,25)/t15-/m1/s1
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| InChIKey |
GNXOIPSKACRVFE-OAHLLOKOSA-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