General Information of the Compound
| Compound ID |
CP0253252
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| Compound Name |
N-ethyl-N-(2-methylprop-2-enyl)-4-[phenyl-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
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| Formula |
C35H40N2O
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| Molecular Weight |
504.718
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| Canonical SMILES |
CCN(CC(C)=C)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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| InChI |
InChI=1S/C35H40N2O/c1-4-36(25-26(2)3)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-23-32-19-20-33(24-31)37(32)22-21-27-11-7-5-8-12-27/h5-18,32-33H,2,4,19-25H2,1,3H3/b34-31-/t32-,33+/m0/s1
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| InChIKey |
UNDWIPHFZSXVEW-JXJYYRDTSA-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