General Information of the Compound
| Compound ID |
CP0548966
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| Compound Name |
1-(4-(6,7-Dihydro-5H-pyrrolo[1,2-a][1,5]benzodiazepine-5-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2cccn2-c2ccccc12
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| InChI |
InChI=1S/C29H33N5O3/c1-20-18-21(12-13-22(20)19-30-29(37)34-16-7-11-26(34)28(36)31(2)3)27(35)33-17-14-23-8-6-15-32(23)24-9-4-5-10-25(24)33/h4-6,8-10,12-13,15,18,26H,7,11,14,16-17,19H2,1-3H3,(H,30,37)/t26-/m0/s1
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| InChIKey |
GIDXBRNENMHUMO-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