General Information of the Compound
| Compound ID |
CP0447963
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| Compound Name |
6-chloro-N-((1R,3r,5S)-8-((4-(methylamino)piperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide
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| Formula |
C22H30ClN5O4S
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| Molecular Weight |
496.033
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| Canonical SMILES |
CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl
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| InChI |
InChI=1S/C22H30ClN5O4S/c1-24-14-4-6-27(7-5-14)33(31,32)28-16-2-3-17(28)11-15(10-16)25-22(30)18-8-13-9-21(29)26-20(13)12-19(18)23/h8,12,14-17,24H,2-7,9-11H2,1H3,(H,25,30)(H,26,29)/t15-,16+,17-
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| InChIKey |
LXZKQRJDKTXFPB-BJWYYQGGSA-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