General Information of the Compound
| Compound ID |
CP0523445
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| Compound Name |
benzyl 8-(4-cyclopentylpiperazin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C27H35N3O2/c31-27(32-21-22-7-2-1-3-8-22)30-14-6-9-23-12-13-26(19-24(23)20-30)29-17-15-28(16-18-29)25-10-4-5-11-25/h1-3,7-8,12-13,19,25H,4-6,9-11,14-18,20-21H2
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| InChIKey |
WYTSVWPGCXSZBN-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