General Information of the Compound
| Compound ID |
CP0417269
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| Compound Name |
2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
Nc1nc(nn1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12)-c1ccccn1
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| InChI |
InChI=1S/C23H23N7O2/c24-23-28-21(17-3-1-2-8-25-17)29-30(23)22-16-9-19(31-11-14-4-5-14)20(32-12-15-6-7-15)10-18(16)26-13-27-22/h1-3,8-10,13-15H,4-7,11-12H2,(H2,24,28,29)
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| InChIKey |
CUBJYDGEQVCROH-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