General Information of the Compound
| Compound ID |
CP0413835
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| Compound Name |
tert-butyl 3-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]propanoate
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| Structure |
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCC(=O)OC(C)(C)C)oc12
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| InChI |
InChI=1S/C21H26N4O4/c1-13-19-17(14(12-26)11-24-13)18(25-15-7-5-6-9-22-15)20(28-19)23-10-8-16(27)29-21(2,3)4/h5-7,9,11,23,26H,8,10,12H2,1-4H3,(H,22,25)
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| InChIKey |
RXBOHCRUCADRLY-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