General Information of the Compound
| Compound ID |
CP0141598
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| Compound Name |
4-[(S)-(R)-8-Aza-bicyclo[3.2.1]oct-(3E)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
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| Formula |
C25H30N2O
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| Molecular Weight |
374.528
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
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| InChI |
InChI=1S/C25H30N2O/c1-3-27(4-2)25(28)20-12-10-19(11-13-20)24(18-8-6-5-7-9-18)21-16-22-14-15-23(17-21)26-22/h5-13,22-23,26H,3-4,14-17H2,1-2H3/b24-21-/t22-,23+/m1/s1
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| InChIKey |
HFTDPNTWNMNISE-JEOYDALESA-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