General Information of the Compound
| Compound ID |
CP0464846
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| Compound Name |
US9725436, Entry 6
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| Structure |
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| Formula |
C26H25FN4O
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| Molecular Weight |
428.511
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| Canonical SMILES |
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1
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| InChI |
InChI=1S/C26H25FN4O/c27-24-18-21(17-23(19-24)22-7-9-28-10-8-22)2-1-20-3-5-25(6-4-20)30-12-14-31(15-13-30)26-29-11-16-32-26/h1-10,17-19H,11-16H2/b2-1+
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| InChIKey |
KGKJLQCKUSDERN-OWOJBTEDSA-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