General Information of the Compound
| Compound ID |
CP0558658
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| Compound Name |
benzyl (1R,8R)-4-(4-benzylpiperazin-1-yl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(cc21)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C30H33N3O2/c34-30(35-22-24-9-5-2-6-10-24)33-14-13-25-19-29(33)27-12-11-26(20-28(25)27)32-17-15-31(16-18-32)21-23-7-3-1-4-8-23/h1-12,20,25,29H,13-19,21-22H2/t25-,29-/m1/s1
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| InChIKey |
DWIFPLVGEGWNAL-VAVYLYDRSA-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