General Information of the Compound
| Compound ID |
CP0418311
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| Compound Name |
US9353081, 13
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
CCC(=O)NCCN1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
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| InChI |
InChI=1S/C23H28N4O2/c1-3-22(28)25-10-12-27-11-4-5-18-19(14-24-15-21(18)27)16-6-8-20-17(13-16)7-9-23(29)26(20)2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,25,28)
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| InChIKey |
YBWKRNZJXVKUQC-UHFFFAOYSA-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: PT03120, Cytochrome P450 11B2, mitochondrial