General Information of the Compound
| Compound ID |
CP0542080
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| Compound Name |
(R)-1-morpholino-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propan-1-one
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| Structure |
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| Formula |
C28H27N7O3
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| Molecular Weight |
509.57
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| Canonical SMILES |
C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H27N7O3/c1-19(28(36)34-11-13-37-14-12-34)38-25-7-4-6-23-26(25)27(31-18-30-23)33-21-8-9-24-20(15-21)16-32-35(24)17-22-5-2-3-10-29-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,33)/t19-/m1/s1
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| InChIKey |
SMSWJYWJBIOKNH-LJQANCHMSA-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