General Information of the Compound
| Compound ID |
CP0538727
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| Compound Name |
5-(hydroxymethyl)-N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H27N5O4
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| Molecular Weight |
461.522
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3nc(CO)ccc23)cc1
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| InChI |
InChI=1S/C25H27N5O4/c1-29-10-8-20(28-29)17-4-2-16(3-5-17)12-30-13-19(24-22(30)7-6-18(14-31)26-24)25(33)27-21-9-11-34-15-23(21)32/h2-8,10,13,21,23,31-32H,9,11-12,14-15H2,1H3,(H,27,33)/t21-,23-/m0/s1
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| InChIKey |
IYMGWRWFWMOISB-GMAHTHKFSA-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