General Information of the Compound
| Compound ID |
CP0392479
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| Compound Name |
1-[4-[(E)-2-[3-chloro-5-(imidazol-1-ylmethyl)phenyl]ethenyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine
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| Structure |
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| Formula |
C27H26ClN5O2S
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| Molecular Weight |
520.058
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| Canonical SMILES |
Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccnc2)c1
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| InChI |
InChI=1S/C27H26ClN5O2S/c28-25-17-23(16-24(18-25)20-31-11-10-30-21-31)4-3-22-5-7-26(8-6-22)32-12-14-33(15-13-32)36(34,35)27-2-1-9-29-19-27/h1-11,16-19,21H,12-15,20H2/b4-3+
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| InChIKey |
LCPWJZAHIFVQEN-ONEGZZNKSA-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