General Information of the Compound
| Compound ID |
CP0948701
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| Compound Name |
1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C32H33FN2O3
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| Molecular Weight |
512.625
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| Canonical SMILES |
O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C32H33FN2O3/c33-26-13-15-27(16-14-26)35-20-18-34(19-21-35)22-28(36)23-38-32-11-4-3-10-30(32)31(37)17-12-25-8-5-7-24-6-1-2-9-29(24)25/h1-11,13-16,28,36H,12,17-23H2/t28-/m1/s1
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| InChIKey |
AQHYKALOTUQATM-MUUNZHRXSA-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