General Information of the Compound
| Compound ID |
CP0485506
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| Compound Name |
(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-(5-phenyltetrazol-1-yl)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3,3-difluoro-2-methylheptan-2-ol
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| Formula |
C27H38F2N4O
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| Molecular Weight |
472.624
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| Canonical SMILES |
C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\Cn1nnnc1-c1ccccc1
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| InChI |
InChI=1S/C27H38F2N4O/c1-19(14-17-27(28,29)25(2,3)34)22-12-13-23-20(11-8-16-26(22,23)4)15-18-33-24(30-31-32-33)21-9-6-5-7-10-21/h5-7,9-10,15,19,22-23,34H,8,11-14,16-18H2,1-4H3/b20-15+/t19-,22-,23+,26-/m1/s1
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| InChIKey |
DWFMUZPUTXAFRD-KWGQGYHHSA-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