General Information of the Compound
| Compound ID |
CP0457292
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| Compound Name |
benzyl (1R,8R)-4-(4-prop-2-enylpiperazin-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 |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
C=CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](CCN3C(=O)OCc3ccccc3)c2c1
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| InChI |
InChI=1S/C26H31N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-24(18-22)21-10-12-29(25(23)17-21)26(30)31-19-20-6-4-3-5-7-20/h2-9,18,21,25H,1,10-17,19H2/t21-,25-/m1/s1
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| InChIKey |
VSUOHASWAYXLQQ-PXDATVDWSA-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