General Information of the Compound
| Compound ID |
CP0704631
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| Compound Name |
N-(3-(cyclopropylmethoxy)-5-methoxyphenyl)-N-(cyclopropylmethyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C27H30ClN5O2
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| Molecular Weight |
492.023
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| Canonical SMILES |
COc1cc(OCC2CC2)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H29N5O2.ClH/c1-31-16-20(13-29-31)27-14-28-25-8-7-21(11-26(25)30-27)32(15-18-3-4-18)22-9-23(33-2)12-24(10-22)34-17-19-5-6-19;/h7-14,16,18-19H,3-6,15,17H2,1-2H3;1H
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| InChIKey |
AQKXHUNLOGKFNZ-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