General Information of the Compound
| Compound ID |
CP0504516
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| Compound Name |
6-chloro-1'-(1H-indazole-7-carbonyl)spiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C21H18ClN3O3
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| Molecular Weight |
395.846
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| Canonical SMILES |
Clc1ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
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| InChI |
InChI=1S/C21H18ClN3O3/c22-14-4-5-18-16(10-14)17(26)11-21(28-18)6-8-25(9-7-21)20(27)15-3-1-2-13-12-23-24-19(13)15/h1-5,10,12H,6-9,11H2,(H,23,24)
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| InChIKey |
TZJNQOJLXSHROC-UHFFFAOYSA-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