General Information of the Compound
| Compound ID |
CP0562929
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| Compound Name |
benzyl (1R,8R)-4-[4-(2-methylprop-2-enyl)piperazin-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 |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CC(=C)CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](CCN3C(=O)OCc3ccccc3)c2c1
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| InChI |
InChI=1S/C27H33N3O2/c1-20(2)18-28-12-14-29(15-13-28)23-8-9-24-25(17-23)22-10-11-30(26(24)16-22)27(31)32-19-21-6-4-3-5-7-21/h3-9,17,22,26H,1,10-16,18-19H2,2H3/t22-,26-/m1/s1
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| InChIKey |
KOXOJJKEOCSXOJ-ATIYNZHBSA-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