General Information of the Compound
| Compound ID |
CP0436908
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| Compound Name |
5-hydroxy-8-[4-[4-[3-[(E)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]oxybutyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H28N6O5
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| Molecular Weight |
480.525
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| Canonical SMILES |
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12
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| InChI |
InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+
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| InChIKey |
AQCPIJGBSDFUKW-CVKSISIWSA-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