General Information of the Compound
| Compound ID |
CP0428813
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| Compound Name |
US9353081, 64
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@@H](CCCc12)NC(=O)C1CC1
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| InChI |
InChI=1S/C23H25N3O2/c1-26-21-9-7-15(11-16(21)8-10-22(26)27)18-12-24-13-19-17(18)3-2-4-20(19)25-23(28)14-5-6-14/h7,9,11-14,20H,2-6,8,10H2,1H3,(H,25,28)/t20-/m1/s1
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| InChIKey |
RDQPEYCXPWXJGF-HXUWFJFHSA-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