General Information of the Compound
| Compound ID |
CP0915091
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| Compound Name |
1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H33FN2O3
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| Molecular Weight |
476.592
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| Canonical SMILES |
Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(C(=O)CCc2ccccc2)c1
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| InChI |
InChI=1S/C29H33FN2O3/c1-22-7-14-29(27(19-22)28(34)13-8-23-5-3-2-4-6-23)35-21-26(33)20-31-15-17-32(18-16-31)25-11-9-24(30)10-12-25/h2-7,9-12,14,19,26,33H,8,13,15-18,20-21H2,1H3/t26-/m1/s1
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| InChIKey |
ONEQQDKUPNMWIR-AREMUKBSSA-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