General Information of the Compound
| Compound ID |
CP0879817
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| Compound Name |
1-isopropyl-N-((1R,3r,5S)-8-(2-(4-(methylsulfonyl)piperazin-1-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C27H39N5O4S
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| Molecular Weight |
529.707
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCN2CCN(S(C)(=O)=O)CC2)cc2ccccc21
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| InChI |
InChI=1S/C27H39N5O4S/c1-19(2)32-25-7-5-4-6-20(25)16-24(27(32)34)26(33)28-21-17-22-8-9-23(18-21)31(22)15-12-29-10-13-30(14-11-29)37(3,35)36/h4-7,16,19,21-23H,8-15,17-18H2,1-3H3,(H,28,33)/t21-,22+,23-
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| InChIKey |
MEVLETXNRMDOKR-NUNAXRQHSA-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