General Information of the Compound
| Compound ID |
CP0911462
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| Compound Name |
9-sec-butyl-15-(3-tert-butylbenzyl)-10,13,16-trimethylene-6,7,8,9,10,11,13,14,15,16,17,18-dodecahydro-5H-spiro[benzo[18]annulene-12,1'-cyclopentane]
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| Structure |
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| Formula |
C33H41F3N4O4
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| Molecular Weight |
614.709
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| Canonical SMILES |
CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2cccc(C(F)(F)F)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H41F3N4O4/c1-3-22(2)28-30(42)40-32(15-6-7-16-32)31(43)39-26(21-23-10-8-13-25(20-23)33(34,35)36)29(41)38-17-9-12-24-11-4-5-14-27(24)44-19-18-37-28/h4-5,8-14,20,22,26,28,37H,3,6-7,15-19,21H2,1-2H3,(H,38,41)(H,39,43)(H,40,42)/b12-9-
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| InChIKey |
RWNUEVXMQQSDNA-XFXZXTDPSA-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