General Information of the Compound
| Compound ID |
CP0488964
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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'-carboxamide
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
CC(C)C[C@H]1C[C@@H](C(N)=O)[C@@]2(N1C(=O)c1ccccn1)C(=O)Nc1ccccc21
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| InChI |
InChI=1S/C22H24N4O3/c1-13(2)11-14-12-16(19(23)27)22(15-7-3-4-8-17(15)25-21(22)29)26(14)20(28)18-9-5-6-10-24-18/h3-10,13-14,16H,11-12H2,1-2H3,(H2,23,27)(H,25,29)/t14-,16-,22+/m0/s1
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| InChIKey |
PHXGXNCQKJHHAC-KHJUTWJGSA-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