General Information of the Compound
| Compound ID |
CP0542579
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| Compound Name |
4,4-Dimethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzyl-carbamoyl)-L-proline-N,N-dimethylamide
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| Structure |
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| Formula |
C30H40N4O5
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| Molecular Weight |
536.673
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| Canonical SMILES |
COC(OC)C1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C
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| InChI |
InChI=1S/C30H40N4O5/c1-20-16-22(27(35)33-15-9-8-11-21-10-6-7-12-25(21)33)13-14-23(20)18-31-30(37)34-19-24(29(38-4)39-5)17-26(34)28(36)32(2)3/h6-7,10,12-14,16,24,26,29H,8-9,11,15,17-19H2,1-5H3,(H,31,37)/t24?,26-/m0/s1
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| InChIKey |
DGKIUVICMONELE-JKGBFCRXSA-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