General Information of the Compound
| Compound ID |
CP0517716
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| Compound Name |
N-[(3R,4S)-2,3-dihydroxyoxan-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 |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC(O)[C@@H]3O)c3ncccc23)cc1
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| InChI |
InChI=1S/C24H25N5O4/c1-28-11-8-18(27-28)16-6-4-15(5-7-16)13-29-14-17(21-20(29)3-2-10-25-21)23(31)26-19-9-12-33-24(32)22(19)30/h2-8,10-11,14,19,22,24,30,32H,9,12-13H2,1H3,(H,26,31)/t19-,22+,24?/m0/s1
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| InChIKey |
DVPIZGHATJQUGE-VBLFYTBKSA-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