General Information of the Compound
| Compound ID |
CP0852003
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| Compound Name |
1-isopropyl-2-oxo-N-((1R,3r,5S)-8-(5-(piperidin-1-yl)pentyl)-8-azabicyclo[3.2.1]octan-3-yl)-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C30H44N4O2
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| Molecular Weight |
492.708
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCN2CCCCC2)cc2ccccc21
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| InChI |
InChI=1S/C30H44N4O2/c1-22(2)34-28-12-6-5-11-23(28)19-27(30(34)36)29(35)31-24-20-25-13-14-26(21-24)33(25)18-10-4-9-17-32-15-7-3-8-16-32/h5-6,11-12,19,22,24-26H,3-4,7-10,13-18,20-21H2,1-2H3,(H,31,35)/t24-,25+,26-
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| InChIKey |
XOBCALYBPKWFCM-OOSCYNTBSA-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