General Information of the Compound
| Compound ID |
CP0413152
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| Compound Name |
US9353081, 62
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| Structure |
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| Formula |
C25H23ClN4O2
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| Molecular Weight |
446.938
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| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@@H](CCCc12)NC(=O)c1ncccc1Cl
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| InChI |
InChI=1S/C25H23ClN4O2/c1-30-22-9-7-15(12-16(22)8-10-23(30)31)18-13-27-14-19-17(18)4-2-6-21(19)29-25(32)24-20(26)5-3-11-28-24/h3,5,7,9,11-14,21H,2,4,6,8,10H2,1H3,(H,29,32)/t21-/m1/s1
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| InChIKey |
ZRGHMSFUQOKWOP-OAQYLSRUSA-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