General Information of the Compound
| Compound ID |
CP0915100
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| Compound Name |
(1S)-1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-ol
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| Structure |
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| Formula |
C29H36N2O3
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| Molecular Weight |
460.618
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| Canonical SMILES |
O[C@@H](COc1ccccc1[C@@H](O)CCc1ccccc1)CN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H36N2O3/c32-26(22-31-19-17-30(18-20-31)21-25-11-5-2-6-12-25)23-34-29-14-8-7-13-27(29)28(33)16-15-24-9-3-1-4-10-24/h1-14,26,28,32-33H,15-23H2/t26-,28+/m1/s1
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| InChIKey |
OOLRNCACYMTJSD-IAPPQJPRSA-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