General Information of the Compound
| Compound ID |
CP0537717
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| Compound Name |
6-ethyl-3-[3-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C28H42N8O3
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| Molecular Weight |
538.697
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| Canonical SMILES |
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCNCC3)c(OC)c2)nc1NC1CCOCC1
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| InChI |
InChI=1S/C28H42N8O3/c1-3-22-27(31-19-8-16-39-17-9-19)34-28(25(33-22)26(29)37)32-20-4-5-23(24(18-20)38-2)36-12-6-21(7-13-36)35-14-10-30-11-15-35/h4-5,18-19,21,30H,3,6-17H2,1-2H3,(H2,29,37)(H2,31,32,34)
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| InChIKey |
HWWOWSDXQIZWHB-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3