General Information of the Compound
| Compound ID |
CP0420551
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| Compound Name |
N-[[(2S)-oxolan-2-yl]methyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
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| InChI |
InChI=1S/C23H23N5O2/c29-23(25-14-19-4-2-13-30-19)20-16-27(21-5-1-10-24-22(20)21)15-17-6-8-18(9-7-17)28-12-3-11-26-28/h1,3,5-12,16,19H,2,4,13-15H2,(H,25,29)/t19-/m0/s1
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| InChIKey |
SFRBLETWXOYWNV-IBGZPJMESA-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