General Information of the Compound
| Compound ID |
CP0303143
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| Compound Name |
(1S,5S,6S)-3-amino-5-[5-[(5-chloropyridine-2-carbonyl)amino]-2,3-difluorophenyl]-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
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| Structure |
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| Formula |
C20H18ClF2N5O2S
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| Molecular Weight |
465.913
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| Canonical SMILES |
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F
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| InChI |
InChI=1S/C20H18ClF2N5O2S/c1-19(14-7-20(14,17(30)25-2)31-18(24)28-19)11-5-10(6-12(22)15(11)23)27-16(29)13-4-3-9(21)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,24,28)(H,25,30)(H,27,29)/t14-,19+,20-/m0/s1
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| InChIKey |
ZGDXVGJMLHLEPG-KPOBHBOGSA-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