General Information of the Compound
| Compound ID |
CP0262766
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| Compound Name |
8-[(2S)-2-amino-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H26FN3O3
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| Molecular Weight |
423.488
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| Canonical SMILES |
N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(Cc3cc(F)ccc3O2)CC1
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| InChI |
InChI=1S/C24H26FN3O3/c25-18-5-6-20-17(12-18)13-24(31-20)8-10-28(11-9-24)14-19(26)15-30-21-3-1-2-16-4-7-22(29)27-23(16)21/h1-7,12,19H,8-11,13-15,26H2,(H,27,29)/t19-/m0/s1
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| InChIKey |
NPRRMRYPBGEKBY-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