General Information of the Compound
| Compound ID |
CP0072335
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| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-chlorophenyl]-1-(6,7-dimethoxyquinazolin-4-yl)-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C29H34ClN9O2
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| Molecular Weight |
576.105
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CC6CCC5C6)c(Cl)c4)nc3N)c2cc1OC
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| InChI |
InChI=1S/C29H34ClN9O2/c1-40-25-14-20-22(15-26(25)41-2)32-16-33-27(20)39-28(31)35-29(36-39)34-19-5-6-23(21(30)13-19)37-7-9-38(10-8-37)24-12-17-3-4-18(24)11-17/h5-6,13-18,24H,3-4,7-12H2,1-2H3,(H3,31,34,35,36)
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| InChIKey |
UPNOTEPCZCDXLV-UHFFFAOYSA-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: PT01128, Tyrosine-protein kinase receptor UFO