General Information of the Compound
| Compound ID |
CP0531752
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| Compound Name |
1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- 7-(2- methoxy- quinazolin- 4-yloxy]phenyl} urea hydrochloride
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| Structure |
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| Formula |
C26H29N5O6
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| Molecular Weight |
507.547
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| Canonical SMILES |
COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(31-37-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,31,32)
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| InChIKey |
HUPBPZKRSLMDLD-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