General Information of the Compound
| Compound ID |
CP0491644
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C27H33ClN2O6
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| Molecular Weight |
517.022
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| Canonical SMILES |
CO[C@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C27H33ClN2O6/c1-34-22-6-9-30(16-22)26(33)23-4-3-20(31)13-25(23)35-17-21(32)15-29-10-7-27(8-11-29)14-18-12-19(28)2-5-24(18)36-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
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| InChIKey |
VVWQJGJQEXWAGD-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