General Information of the Compound
| Compound ID |
CP0024475
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| Compound Name |
tert-butyl 6-(2-chloro-4-pyrimidin-5-ylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
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| Structure |
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| Formula |
C26H24ClN7O2
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| Molecular Weight |
501.978
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| Canonical SMILES |
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H24ClN7O2/c1-26(2,3)36-25(35)34-22(19-13-31-33(4)14-19)8-17-12-30-24(9-23(17)34)32-21-6-5-16(7-20(21)27)18-10-28-15-29-11-18/h5-15H,1-4H3,(H,30,32)
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| InChIKey |
SRPAEINPWYARFL-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