General Information of the Compound
| Compound ID |
CP0459466
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| Compound Name |
1-methyl-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 |
C23H32N4O4S
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| Molecular Weight |
460.6
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| Canonical SMILES |
CN1C(=O)Cc2cc(ccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1
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| InChI |
InChI=1S/C23H32N4O4S/c1-26-21-5-2-16(10-17(21)11-22(26)28)23(29)25-18-12-19-3-4-20(13-18)27(19)32(30,31)14-15-6-8-24-9-7-15/h2,5,10,15,18-20,24H,3-4,6-9,11-14H2,1H3,(H,25,29)/t18-,19+,20-
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| InChIKey |
BUKHCHZZWYLKLC-ACDBMABISA-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