General Information of the Compound
| Compound ID |
CP0303129
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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-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C21H20F5N5O3S
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| Molecular Weight |
517.48
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| Canonical SMILES |
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F
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| InChI |
InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1
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| InChIKey |
LMVCXQSYVBPNAZ-VHKYSDTDSA-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