General Information of the Compound
| Compound ID |
CP0043626
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| Compound Name |
N-[3-[(3R)-5-amino-3-methyl-6,7-dihydro-2H-1,4-oxazepin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H18ClFN4O2
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| Molecular Weight |
376.819
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| Canonical SMILES |
C[C@]1(COCCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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| InChI |
InChI=1S/C18H18ClFN4O2/c1-18(10-26-7-6-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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| InChIKey |
WOZIINQXNVZSGZ-SFHVURJKSA-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