General Information of the Compound
| Compound ID |
CP0507980
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| Compound Name |
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline isopropylester
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| Structure |
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| Formula |
C28H35N3O4
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| Molecular Weight |
477.605
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| Canonical SMILES |
CC(C)OC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C28H35N3O4/c1-19(2)35-27(33)25-12-8-16-31(25)28(34)29-18-23-14-13-22(17-20(23)3)26(32)30-15-7-6-10-21-9-4-5-11-24(21)30/h4-5,9,11,13-14,17,19,25H,6-8,10,12,15-16,18H2,1-3H3,(H,29,34)/t25-/m0/s1
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| InChIKey |
XPYZEKLMZUVSPK-VWLOTQADSA-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