General Information of the Compound
| Compound ID |
CP0775910
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| Compound Name |
3-{4-[3-(4-{7-[(Cyclopropylmethyl)(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}-1H-pyrazol-1-yl)propyl]piperazin-1-yl}propan-1-ol hydrochloride
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| Structure |
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| Formula |
C33H44ClN7O3
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| Molecular Weight |
622.214
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C33H43N7O3.ClH/c1-42-29-17-28(18-30(20-29)43-2)40(23-25-5-6-25)27-7-8-31-32(19-27)36-33(22-34-31)26-21-35-39(24-26)11-3-9-37-12-14-38(15-13-37)10-4-16-41;/h7-8,17-22,24-25,41H,3-6,9-16,23H2,1-2H3;1H
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| InChIKey |
RRKHYJVGAHJYAK-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