General Information of the Compound
| Compound ID |
CP0417690
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| Compound Name |
4-[[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]carbamoyl]naphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C24H23N3O5
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| Molecular Weight |
433.464
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| Canonical SMILES |
OC(=O)c1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
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| InChIKey |
BIICSDGTLAHWES-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