General Information of the Compound
| Compound ID |
CP0507983
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| Compound Name |
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1,5-benzoxazepin-5-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCOc2ccccc12
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| InChI |
InChI=1S/C26H32N4O4/c1-18-16-19(24(31)29-14-7-15-34-23-10-5-4-8-21(23)29)11-12-20(18)17-27-26(33)30-13-6-9-22(30)25(32)28(2)3/h4-5,8,10-12,16,22H,6-7,9,13-15,17H2,1-3H3,(H,27,33)/t22-/m0/s1
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| InChIKey |
AFIOOKUPZYAJQG-QFIPXVFZSA-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