General Information of the Compound
| Compound ID |
CP0865287
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| Compound Name |
1-(4-(4-(3-chloro-5-(1-hydroxy-2-methyl-1-(pyridin-3-yl)propyl)styryl)phenyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C29H32ClN3O2
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| Molecular Weight |
490.047
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(C(O)(c4cccnc4)C(C)C)c3)cc2)CC1
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| InChI |
InChI=1S/C29H32ClN3O2/c1-21(2)29(35,25-5-4-12-31-20-25)26-17-24(18-27(30)19-26)7-6-23-8-10-28(11-9-23)33-15-13-32(14-16-33)22(3)34/h4-12,17-21,35H,13-16H2,1-3H3/b7-6+
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| InChIKey |
RLRRAQZTOSMYSH-VOTSOKGWSA-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