General Information of the Compound
| Compound ID |
CP0852875
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| Compound Name |
2-((1R,3r,5S)-3-(1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamido)-8-azabicyclo[3.2.1]octan-8-yl)ethanesulfonic acid
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCS(=O)(=O)O)cc2ccccc21
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| InChI |
InChI=1S/C22H29N3O5S/c1-14(2)25-20-6-4-3-5-15(20)11-19(22(25)27)21(26)23-16-12-17-7-8-18(13-16)24(17)9-10-31(28,29)30/h3-6,11,14,16-18H,7-10,12-13H2,1-2H3,(H,23,26)(H,28,29,30)/t16-,17+,18-
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| InChIKey |
MMXOASVHIULOKY-BCDXTJNWSA-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