General Information of the Compound
| Compound ID |
CP0392996
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| Compound Name |
benzyl 8-(4-methylpiperazin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C23H29N3O2/c1-24-12-14-25(15-13-24)22-10-9-20-8-5-11-26(17-21(20)16-22)23(27)28-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3
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| InChIKey |
LIJWSZNFGYHJFQ-UHFFFAOYSA-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