General Information of the Compound
| Compound ID |
CP0875637
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| Compound Name |
1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(3-chloropropylsulfonyl)piperazine
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| Structure |
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| Formula |
C25H28Cl2N4O2S
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| Molecular Weight |
519.498
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| Canonical SMILES |
O=S(=O)(CCCCl)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1
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| InChI |
InChI=1S/C25H28Cl2N4O2S/c26-8-1-15-34(32,33)31-13-11-30(12-14-31)25-6-4-21(5-7-25)2-3-22-16-23(18-24(27)17-22)19-29-10-9-28-20-29/h2-7,9-10,16-18,20H,1,8,11-15,19H2/b3-2+
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| InChIKey |
BEEQSJMIBJVSRU-NSCUHMNNSA-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