General Information of the Compound
| Compound ID |
CP0904002
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| Compound Name |
1-(cyclopropylmethyl)-4-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)piperazine
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| Structure |
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| Formula |
C27H28FN3
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| Molecular Weight |
413.54
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| Canonical SMILES |
Fc1cc(/C=C/c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(-c2ccncc2)c1
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| InChI |
InChI=1S/C27H28FN3/c28-26-18-23(17-25(19-26)24-9-11-29-12-10-24)4-1-21-5-7-27(8-6-21)31-15-13-30(14-16-31)20-22-2-3-22/h1,4-12,17-19,22H,2-3,13-16,20H2/b4-1+
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| InChIKey |
RXTZOEXHPODFBT-DAFODLJHSA-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