General Information of the Compound
| Compound ID |
CP0753587
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| Compound Name |
(1R,4R,5S)-N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
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| Structure |
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| Formula |
C35H41NO3
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| Molecular Weight |
523.717
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| Canonical SMILES |
O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)[C@H]1C[C@@H]2C=C[C@H]1C2
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| InChI |
InChI=1S/C35H41NO3/c37-30-9-5-25(6-10-30)33(34-28-17-23-15-24(19-28)20-29(34)18-23)26-7-11-31(12-8-26)39-14-2-1-13-36-35(38)32-21-22-3-4-27(32)16-22/h3-12,22-24,27-29,32,37H,1-2,13-21H2,(H,36,38)/t22-,23?,24?,27+,28?,29?,32+/m1/s1
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| InChIKey |
BRODEZOACLHSID-CYTDPWKZSA-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