General Information of the Compound
| Compound ID |
CP0503936
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| Compound Name |
4-(3-(4-amino-5-(2-phenylquinolin-7-yl)imidazo[1,5-f][1,2,4]triazin-7-yl)cyclobutyl)piperazine-1-carbaldehyde
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| Formula |
C29H28N8O
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| Molecular Weight |
504.598
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| Canonical SMILES |
Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O
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| InChI |
InChI=1S/C29H28N8O/c30-28-27-26(21-7-6-20-8-9-24(33-25(20)16-21)19-4-2-1-3-5-19)34-29(37(27)32-17-31-28)22-14-23(15-22)36-12-10-35(18-38)11-13-36/h1-9,16-18,22-23H,10-15H2,(H2,30,31,32)/t22-,23+
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| InChIKey |
RDFZVFFSXWGAKR-ZRZAMGCNSA-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: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor