General Information of the Compound
| Compound ID |
CP0401892
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| Compound Name |
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)N1CCC[C@H]1C(O)=O)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C25H29N3O4/c1-17-15-19(23(29)27-13-5-4-8-18-7-2-3-9-21(18)27)11-12-20(17)16-26-25(32)28-14-6-10-22(28)24(30)31/h2-3,7,9,11-12,15,22H,4-6,8,10,13-14,16H2,1H3,(H,26,32)(H,30,31)/t22-/m0/s1
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| InChIKey |
YIXBPIQPOZUWCG-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