General Information of the Compound
| Compound ID |
CP0096184
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| Compound Name |
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
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| Structure |
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| Formula |
C27H24N6O2
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| Molecular Weight |
464.529
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| Canonical SMILES |
Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
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| InChI |
InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
BJSFTYZWWXFKSH-FQEVSTJZSA-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: PT00962, Glycogen synthase kinase-3 beta
Cell Viability or Cytotoxicity Assay