General Information of the Compound
| Compound ID |
CP0543901
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| Compound Name |
6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
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| Structure |
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| Formula |
C26H29N9O2
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| Molecular Weight |
499.579
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| Canonical SMILES |
C[C@H](Nc1c(-c2nc3ccc(cc3[nH]2)N2C[C@H](C)O[C@H](C)C2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
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| InChI |
InChI=1S/C26H29N9O2/c1-14-11-35(12-15(2)37-14)17-6-7-18-19(10-17)31-25(30-18)21-23(29-16(3)24-27-8-5-9-28-24)22-20(32-26(21)36)13-34(4)33-22/h5-10,13-16,29H,11-12H2,1-4H3,(H,30,31)(H,32,36)/t14-,15+,16-/m0/s1
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| InChIKey |
GLWOTLDNVFBPKX-XHSDSOJGSA-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
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000035 | NIH 3T3 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 1831.35 nM
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