General Information of the Compound
| Compound ID |
CP0042313
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| Compound Name |
N-[2-[(5-chloropyridin-2-yl)carbamoyl]-4-methoxyphenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
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| Structure |
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| Formula |
C23H21ClFN5O3
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| Molecular Weight |
469.904
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)
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| InChIKey |
LMFPOQCLAWEMKA-UHFFFAOYSA-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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