General Information of the Compound
| Compound ID |
CP0461964
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-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 |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
Cc1cnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c2c1)C(=O)N[C@H]1CCOC[C@@H]1O
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| InChI |
InChI=1S/C25H27N5O3/c1-16-11-22-24(26-12-16)19(25(32)27-21-8-10-33-15-23(21)31)14-30(22)13-17-3-5-18(6-4-17)20-7-9-29(2)28-20/h3-7,9,11-12,14,21,23,31H,8,10,13,15H2,1-2H3,(H,27,32)/t21-,23-/m0/s1
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| InChIKey |
KVQORSXENRCARW-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