General Information of the Compound
| Compound ID |
CP0859320
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| Compound Name |
N-((1R,3r,5S)-8-(5-(1,3-dioxoisoindolin-2-yl)pentyl)-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C33H38N4O4
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| Molecular Weight |
554.691
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCN2C(=O)c3ccccc3C2=O)cc2ccccc21
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| InChI |
InChI=1S/C33H38N4O4/c1-21(2)37-29-13-7-4-10-22(29)18-28(33(37)41)30(38)34-23-19-24-14-15-25(20-23)35(24)16-8-3-9-17-36-31(39)26-11-5-6-12-27(26)32(36)40/h4-7,10-13,18,21,23-25H,3,8-9,14-17,19-20H2,1-2H3,(H,34,38)/t23-,24+,25-
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| InChIKey |
JXIQZHRZIOGMKY-QEIWAGNOSA-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