General Information of the Compound
| Compound ID |
CP0095882
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| Compound Name |
(2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine
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| Synonyms |
B99
BDBM50305878
GTPL8181
PMID20005102C1
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| Structure |
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| Formula |
C28H25N5O2
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| Molecular Weight |
463.541
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
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| InChI |
InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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| InChIKey |
XONRTPBYDAFIRW-NRFANRHFSA-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000218 | BT-474 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 340 nM
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TI
LI
LO
TS
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| CL000227 | HFF | Homo sapiens (Human) | 1 |
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IC50 = 5500 nM
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TI
LI
LO
TS
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Clinical Information about the Compound
Drug 1 ( PMID20005102C1 )
| Drug Name | PMID20005102C1 | ||
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