General Information of the Compound
| Compound ID |
CP0957636
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| Compound Name |
1-[2-[(2R)-3-[4-[(2S)-3-(2-benzoylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]ethanone
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| Structure |
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| Formula |
C32H38N2O6
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| Molecular Weight |
546.664
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| Canonical SMILES |
CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C32H38N2O6/c1-23-12-13-31(29(18-23)24(2)35)40-22-27(37)20-34-16-14-33(15-17-34)19-26(36)21-39-30-11-7-6-10-28(30)32(38)25-8-4-3-5-9-25/h3-13,18,26-27,36-37H,14-17,19-22H2,1-2H3/t26-,27+/m0/s1
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| InChIKey |
OWJOVPIFAIJRFW-RRPNLBNLSA-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