General Information of the Compound
| Compound ID |
CP0562059
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| Compound Name |
(6R)-6-[(1R,3aS,4E,7aR)-4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3,3-difluoro-2-methylheptan-2-ol
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| Formula |
C27H37F3N4O
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| Molecular Weight |
490.614
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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\Cn1nnc(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H37F3N4O/c1-18(13-16-27(29,30)25(2,3)35)22-11-12-23-19(6-5-15-26(22,23)4)14-17-34-32-24(31-33-34)20-7-9-21(28)10-8-20/h7-10,14,18,22-23,35H,5-6,11-13,15-17H2,1-4H3/b19-14+/t18-,22-,23+,26-/m1/s1
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| InChIKey |
QZEBRGSTTMHWNI-LKTCRAKLSA-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