General Information of the Compound
| Compound ID |
CP0150853
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| Compound Name |
1-(3-amino-2-hydroxypropyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C30H28FN5O5
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| Molecular Weight |
557.582
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
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| InChI |
InChI=1S/C30H28FN5O5/c1-18-28(30(39)36(20-6-4-3-5-7-20)35(18)17-21(37)16-32)29(38)34-19-8-11-27(24(31)14-19)41-26-12-13-33-25-15-22(40-2)9-10-23(25)26/h3-15,21,37H,16-17,32H2,1-2H3,(H,34,38)
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| InChIKey |
NXVHOYBQFPQTBF-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