General Information of the Compound
| Compound ID |
CP0650780
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| Compound Name |
(S)-N-(3-(2-amino-4-methyl-4,5,6,7-tetrahydro-1,3-oxazepin-4-yl)-4-fluorophenyl)-5-chloropicolinamide
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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(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCCOC(N)=N1
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| InChI |
InChI=1S/C18H18ClFN4O2/c1-18(7-2-8-26-17(21)24-18)13-9-12(4-5-14(13)20)23-16(25)15-6-3-11(19)10-22-15/h3-6,9-10H,2,7-8H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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| InChIKey |
VSJNYKGDHZATGL-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