General Information of the Compound
| Compound ID |
CP0195062
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| Compound Name |
(6S,7S)-7-hydroxycarbamoyl-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid methyl ester
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| Structure |
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| Formula |
C21H25N3O5
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| Molecular Weight |
399.447
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| Canonical SMILES |
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CC=C(C1)c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C21H25N3O5/c1-29-20(27)24-13-21(8-9-21)11-16(18(25)22-28)17(24)19(26)23-10-7-15(12-23)14-5-3-2-4-6-14/h2-7,16-17,28H,8-13H2,1H3,(H,22,25)/t16-,17-/m0/s1
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| InChIKey |
DAWQVDWNIUMYHC-IRXDYDNUSA-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