General Information of the Compound
| Compound ID |
CP0542078
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| Compound Name |
(R)-N-methyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
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| Structure |
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| Formula |
C23H21N7O2S
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| Molecular Weight |
459.535
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| Canonical SMILES |
CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12
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| InChI |
InChI=1S/C23H21N7O2S/c1-14(23(31)24-2)32-19-5-3-4-17-21(19)22(27-13-26-17)29-16-6-7-18-15(10-16)11-28-30(18)12-20-25-8-9-33-20/h3-11,13-14H,12H2,1-2H3,(H,24,31)(H,26,27,29)/t14-/m1/s1
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| InChIKey |
HUSDYKHBBUDXHX-CQSZACIVSA-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