General Information of the Compound
| Compound ID |
CP0417406
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| Compound Name |
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,Ndiethylamide
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| Structure |
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| Formula |
C29H38N4O3
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| Molecular Weight |
490.648
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| Canonical SMILES |
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C29H38N4O3/c1-4-31(5-2)28(35)26-14-10-18-33(26)29(36)30-20-24-16-15-23(19-21(24)3)27(34)32-17-9-8-12-22-11-6-7-13-25(22)32/h6-7,11,13,15-16,19,26H,4-5,8-10,12,14,17-18,20H2,1-3H3,(H,30,36)/t26-/m0/s1
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| InChIKey |
ZCAVFHPSRPCIJJ-SANMLTNESA-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