General Information of the Compound
| Compound ID |
CP0523446
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| Compound Name |
benzyl (1S,8R)-5-(4-methylpiperazin-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 |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[C@@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
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| InChI |
InChI=1S/C24H29N3O2/c1-25-11-13-26(14-12-25)20-7-8-21-19-9-10-27(23(15-19)22(21)16-20)24(28)29-17-18-5-3-2-4-6-18/h2-8,16,19,23H,9-15,17H2,1H3/t19-,23+/m0/s1
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| InChIKey |
CQQWIHMDQBNBBE-WMZHIEFXSA-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