General Information of the Compound
| Compound ID |
CP0558805
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| Compound Name |
(3S,3'R,5'S)-5'-(2-methylpropyl)-2-oxo-1'-(pyridine-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C22H24ClN3O4
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| Molecular Weight |
429.904
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| Canonical SMILES |
Cl.CC(C)C[C@H]1C[C@@H](C(O)=O)[C@@]2(N1C(=O)c1ccccn1)C(=O)Nc1ccccc21
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| InChI |
InChI=1S/C22H23N3O4.ClH/c1-13(2)11-14-12-16(20(27)28)22(15-7-3-4-8-17(15)24-21(22)29)25(14)19(26)18-9-5-6-10-23-18;/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,29)(H,27,28);1H/t14-,16-,22+;/m0./s1
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| InChIKey |
ZYXGNWFEDPLFDH-BTUSCWCXSA-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