General Information of the Compound
| Compound ID |
CP0499964
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| Compound Name |
1-[3-[4-[[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-methylamino]methyl]phenyl]phenyl]ethanone
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| Structure |
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| Formula |
C26H31NO
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| Molecular Weight |
373.54
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| Canonical SMILES |
CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C26H31NO/c1-18(28)21-6-5-7-22(14-21)20-10-8-19(9-11-20)16-27(4)17-23-12-13-24-15-25(23)26(24,2)3/h5-12,14,24-25H,13,15-17H2,1-4H3/t24-,25-/m0/s1
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| InChIKey |
OFZRQPFWQXICPT-DQEYMECFSA-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