General Information of the Compound
| Compound ID |
CP0040174
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| Compound Name |
1-Benzyl-2,3-dihydro-1H-indole-5-carboxylic acid [(S)-1-((S)-2-hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide
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| Structure |
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| Formula |
C26H33N3O4
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| Molecular Weight |
451.567
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc2N(Cc3ccccc3)CCc2c1)C(=O)N[C@H]1CCOC1O
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| InChI |
InChI=1S/C26H33N3O4/c1-17(2)14-22(25(31)27-21-11-13-33-26(21)32)28-24(30)20-8-9-23-19(15-20)10-12-29(23)16-18-6-4-3-5-7-18/h3-9,15,17,21-22,26,32H,10-14,16H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-,26?/m0/s1
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| InChIKey |
BLQKVVSYQJRJSW-PFXBLUCKSA-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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