General Information of the Compound
| Compound ID |
CP0405972
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| Compound Name |
[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methylphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C27H33FN2O5
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| Molecular Weight |
484.568
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| Canonical SMILES |
Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(Cc4cc(F)ccc4O3)CC2)c1
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| InChI |
InChI=1S/C27H33FN2O5/c1-18-2-4-23(26(33)30-9-6-21(31)16-30)25(12-18)34-17-22(32)15-29-10-7-27(8-11-29)14-19-13-20(28)3-5-24(19)35-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
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| InChIKey |
YZXXVFCINAUYKV-VXKWHMMOSA-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