General Information of the Compound
| Compound ID |
CP0387687
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| Compound Name |
US9353081, 11
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2N(CCNC(=O)OC(C)(C)C)CCCc12
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| InChI |
InChI=1S/C25H32N4O3/c1-25(2,3)32-24(31)27-11-13-29-12-5-6-19-20(15-26-16-22(19)29)17-7-9-21-18(14-17)8-10-23(30)28(21)4/h7,9,14-16H,5-6,8,10-13H2,1-4H3,(H,27,31)
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| InChIKey |
JQACWJRUDPWMEO-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