General Information of the Compound
| Compound ID |
CP0473222
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| Compound Name |
3-(4-Chloro-2-{[(3S)-3-methyl-4-(phenylacetyl)piperazin-1-yl]methyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C23H27ClN2O3
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| Molecular Weight |
414.933
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)ccc2CCC(O)=O)CCN1C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C23H27ClN2O3/c1-17-15-25(11-12-26(17)22(27)13-18-5-3-2-4-6-18)16-20-14-21(24)9-7-19(20)8-10-23(28)29/h2-7,9,14,17H,8,10-13,15-16H2,1H3,(H,28,29)/t17-/m0/s1
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| InChIKey |
MFELOIQWSKQMLV-KRWDZBQOSA-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