General Information of the Compound
| Compound ID |
CP0874090
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| Compound Name |
1-(4-(4-(3-chloro-5-((pyridin-3-yloxy)methyl)styryl)phenyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C26H26ClN3O2
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| Molecular Weight |
447.966
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(COc4cccnc4)c3)cc2)CC1
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| InChI |
InChI=1S/C26H26ClN3O2/c1-20(31)29-11-13-30(14-12-29)25-8-6-21(7-9-25)4-5-22-15-23(17-24(27)16-22)19-32-26-3-2-10-28-18-26/h2-10,15-18H,11-14,19H2,1H3/b5-4+
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| InChIKey |
IJLHEUSFBQKSGO-SNAWJCMRSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Protein ID: PT05184, Steroid 21-hydroxylase