General Information of the Compound
| Compound ID |
CP0262767
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| Compound Name |
8-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H27ClN2O4
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| Molecular Weight |
442.943
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| Canonical SMILES |
O[C@H](COc1cccc2CCC(=O)Nc12)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C24H27ClN2O4/c25-18-5-6-20-17(12-18)13-24(31-20)8-10-27(11-9-24)14-19(28)15-30-21-3-1-2-16-4-7-22(29)26-23(16)21/h1-3,5-6,12,19,28H,4,7-11,13-15H2,(H,26,29)/t19-/m0/s1
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| InChIKey |
SYOVYMUIPNLGAP-IBGZPJMESA-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2