General Information of the Compound
| Compound ID |
CP0238958
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| Compound Name |
N-[3-[(1S,5S,6S)-3-amino-1-(hydroxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C19H17ClF2N4O2S
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| Molecular Weight |
438.887
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| Canonical SMILES |
C[C@@]1(N=C(N)S[C@@]2(CO)C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F
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| InChI |
InChI=1S/C19H17ClF2N4O2S/c1-18(14-6-19(14,8-27)29-17(23)26-18)11-4-10(5-12(21)15(11)22)25-16(28)13-3-2-9(20)7-24-13/h2-5,7,14,27H,6,8H2,1H3,(H2,23,26)(H,25,28)/t14-,18+,19+/m0/s1
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| InChIKey |
SYUXGKTZZPXWFX-GDIGMMSISA-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