General Information of the Compound
| Compound ID |
CP0959198
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| Compound Name |
(4-(2H-tetrazol-5-yl)cyclohexyl)((3aR,9bR)-7-(2-fluoro-6-(trifluoromethyl)benzyloxy)-9b-(4-fluorophenylsulfonyl)-4,5-dihydro-1H-benzo[e]indol-3(2H,3aH,9bH)-yl)methanone
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| Formula |
C34H32F5N5O4S
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| Molecular Weight |
701.718
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| Canonical SMILES |
O=C([C@H]1CC[C@H](c2nn[nH]n2)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(OCc4c(F)cccc4C(F)(F)F)cc3CC[C@@H]12
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| InChI |
InChI=1S/C34H32F5N5O4S/c35-23-9-12-25(13-10-23)49(46,47)33-16-17-44(32(45)21-6-4-20(5-7-21)31-40-42-43-41-31)30(33)15-8-22-18-24(11-14-27(22)33)48-19-26-28(34(37,38)39)2-1-3-29(26)36/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,40,41,42,43)/t20-,21-,30-,33-/m1/s1
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| InChIKey |
BTBLMRFAXUGTMR-KYNBKCAXSA-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