General Information of the Compound
| Compound ID |
CP0738547
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| Compound Name |
7-[N-(cyclopropylmethyl)-3,5-dimethoxy-anilino]-2-[1-[2-(dimethylsulfamoylamino)ethyl]pyrazol-4-yl]quinoxaline
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| Structure |
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| Formula |
C27H33N7O4S
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| Molecular Weight |
551.673
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCNS(=O)(=O)N(C)C)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H33N7O4S/c1-32(2)39(35,36)30-9-10-33-18-20(15-29-33)27-16-28-25-8-7-21(13-26(25)31-27)34(17-19-5-6-19)22-11-23(37-3)14-24(12-22)38-4/h7-8,11-16,18-19,30H,5-6,9-10,17H2,1-4H3
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| InChIKey |
JCBRKJGZGWDDLQ-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2