General Information of the Compound
| Compound ID |
CP0402928
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| Compound Name |
2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide
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| Formula |
C22H30N4O4S
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| Molecular Weight |
446.573
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| Canonical SMILES |
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1
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| InChI |
InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-
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| InChIKey |
GDJSWNQZBLUXAE-REPLKXPHSA-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