General Information of the Compound
| Compound ID |
CP0560051
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| Compound Name |
N-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19ClF2N4O2S
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| Molecular Weight |
452.914
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| Canonical SMILES |
COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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| InChI |
InChI=1S/C20H19ClF2N4O2S/c1-29-10-19-7-16(19)20(9-22,27-18(24)30-19)13-6-12(3-4-14(13)23)26-17(28)15-5-2-11(21)8-25-15/h2-6,8,16H,7,9-10H2,1H3,(H2,24,27)(H,26,28)/t16-,19-,20-/m1/s1
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| InChIKey |
BNGBJDRMXVMOAE-NSISKUIASA-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