General Information of the Compound
| Compound ID |
CP0762762
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| Compound Name |
(3aS,6aS)-N-(4-(4-((1r,3r,5R,7S)-adamantan-2-ylidene(4-hydroxyphenyl)methyl)phenoxy)butyl)octahydro-2,5-methanopentalene-2-carboxamide
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| Structure |
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| Formula |
C37H45NO3
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| Molecular Weight |
551.771
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| Canonical SMILES |
O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C12CC3CC(CC1C3)C2
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| InChI |
InChI=1S/C37H45NO3/c39-32-7-3-27(4-8-32)34(35-29-15-23-13-24(17-29)18-30(35)16-23)28-5-9-33(10-6-28)41-12-2-1-11-38-36(40)37-21-25-14-26(22-37)20-31(37)19-25/h3-10,23-26,29-31,39H,1-2,11-22H2,(H,38,40)
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| InChIKey |
YDWXGFFNIJSFEH-UHFFFAOYSA-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