General Information of the Compound
| Compound ID |
CP0154920
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| Compound Name |
5-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C23H25ClN2O5
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| Molecular Weight |
444.915
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| Canonical SMILES |
O[C@H](COc1cccc2OCC(=O)Nc12)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C23H25ClN2O5/c24-16-4-5-18-15(10-16)11-23(31-18)6-8-26(9-7-23)12-17(27)13-29-19-2-1-3-20-22(19)25-21(28)14-30-20/h1-5,10,17,27H,6-9,11-14H2,(H,25,28)/t17-/m0/s1
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| InChIKey |
LUXDNYIVTMMDTA-KRWDZBQOSA-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