General Information of the Compound
| Compound ID |
CP0493309
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| Compound Name |
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline tertbutylester
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| Structure |
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| Formula |
C29H37N3O4
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| Molecular Weight |
491.632
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C29H37N3O4/c1-20-18-22(26(33)31-16-8-7-11-21-10-5-6-12-24(21)31)14-15-23(20)19-30-28(35)32-17-9-13-25(32)27(34)36-29(2,3)4/h5-6,10,12,14-15,18,25H,7-9,11,13,16-17,19H2,1-4H3,(H,30,35)/t25-/m0/s1
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| InChIKey |
HCTXLNBEEGORFZ-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