General Information of the Compound
| Compound ID |
CP0957632
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| Compound Name |
1-[4-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C34H38N2O3
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| Molecular Weight |
522.689
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)CCc4cccc5ccccc45)cc3)CC2)c1C
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| InChI |
InChI=1S/C34H38N2O3/c1-25-7-5-12-33(26(25)2)36-21-19-35(20-22-36)23-30(37)24-39-31-16-13-29(14-17-31)34(38)18-15-28-10-6-9-27-8-3-4-11-32(27)28/h3-14,16-17,30,37H,15,18-24H2,1-2H3/t30-/m1/s1
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| InChIKey |
FNQZNTHLCRMHPE-SSEXGKCCSA-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