General Information of the Compound
| Compound ID |
CP0356493
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| Compound Name |
N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C23H22F2N6O4S
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| Molecular Weight |
516.53
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| Canonical SMILES |
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F
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| InChI |
InChI=1S/C23H22F2N6O4S/c1-22(16-7-23(16,11-33-2)36-21(26)31-22)13-5-12(6-14(24)19(13)25)30-20(32)15-8-29-17(9-28-15)35-10-18-27-3-4-34-18/h3-6,8-9,16H,7,10-11H2,1-2H3,(H2,26,31)(H,30,32)/t16-,22+,23+/m0/s1
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| InChIKey |
LPXQIVMHUYETDK-PBNUPURSSA-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