General Information of the Compound
| Compound ID |
CP0421535
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| Compound Name |
(E)-4-(dimethylamino)-1-[4-(3-ethynylanilino)-8,9-dihydro-7H-pyrimido[5,4-h][1,5]benzoxazepin-6-yl]but-2-en-1-one
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N1CCCOc2cc3ncnc(Nc4cccc(c4)C#C)c3cc12
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| InChI |
InChI=1S/C25H25N5O2/c1-4-18-8-5-9-19(14-18)28-25-20-15-22-23(16-21(20)26-17-27-25)32-13-7-12-30(22)24(31)10-6-11-29(2)3/h1,5-6,8-10,14-17H,7,11-13H2,2-3H3,(H,26,27,28)/b10-6+
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| InChIKey |
FROONGYFEAGQJM-UXBLZVDNSA-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