General Information of the Compound
| Compound ID |
CP0457959
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| Compound Name |
(R)-1-morpholino-2-(4-(1-(thiazol-4-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propan-1-one
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| Structure |
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| Formula |
C26H25N7O3S
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| Molecular Weight |
515.599
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| Canonical SMILES |
C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H25N7O3S/c1-17(26(34)32-7-9-35-10-8-32)36-23-4-2-3-21-24(23)25(28-15-27-21)31-19-5-6-22-18(11-19)12-30-33(22)13-20-14-37-16-29-20/h2-6,11-12,14-17H,7-10,13H2,1H3,(H,27,28,31)/t17-/m1/s1
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| InChIKey |
OPUMJZOXVSSCCU-QGZVFWFLSA-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