General Information of the Compound
| Compound ID |
CP0379186
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| Compound Name |
1'-(6-chloro-1H-indole-3-carbonyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-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 |
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc21
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| InChI |
InChI=1S/C21H18ClN3O3/c22-13-5-6-14-15(12-23-18(14)11-13)19(26)25-9-7-21(8-10-25)16-3-1-2-4-17(16)24-20(27)28-21/h1-6,11-12,23H,7-10H2,(H,24,27)
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| InChIKey |
BPVSBZYRICTGIY-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