General Information of the Compound
| Compound ID |
CP0411037
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| Compound Name |
N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-hydroxyphenyl]acetamide
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3ccccc3O2)CC1
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| InChI |
InChI=1S/C23H29N3O4/c1-16(27)25-20-7-6-19(28)12-22(20)29-15-18(24)14-26-10-8-23(9-11-26)13-17-4-2-3-5-21(17)30-23/h2-7,12,18,28H,8-11,13-15,24H2,1H3,(H,25,27)/t18-/m0/s1
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| InChIKey |
VGIMKOQYMXCKHI-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