General Information of the Compound
| Compound ID |
CP0154916
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| Compound Name |
1-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methoxyphenyl]-3-methylurea
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| Structure |
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| Formula |
C24H30FN3O5
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| Molecular Weight |
459.518
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| Canonical SMILES |
CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1
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| InChI |
InChI=1S/C24H30FN3O5/c1-26-23(30)27-20-5-4-19(31-2)12-22(20)32-15-18(29)14-28-9-7-24(8-10-28)13-16-11-17(25)3-6-21(16)33-24/h3-6,11-12,18,29H,7-10,13-15H2,1-2H3,(H2,26,27,30)/t18-/m0/s1
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| InChIKey |
BQBIDAKKFBOFBK-SFHVURJKSA-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