General Information of the Compound
| Compound ID |
CP0451667
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| Compound Name |
benzyl (1R,8R)-5-(4-cyclopentylpiperazin-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 |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1
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| InChIKey |
QAFQNYQSHKJJPP-AJTFRIOCSA-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