General Information of the Compound
| Compound ID |
CP0927520
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| Compound Name |
US9163012, 60
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| Formula |
C23H28N4O4
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| Molecular Weight |
424.501
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| Canonical SMILES |
NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](n4c(=O)[nH]c5ccccc54)C1)C(C3)C2
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| InChI |
InChI=1S/C23H28N4O4/c24-20(28)23-9-13-7-14(10-23)19(15(8-13)11-23)31-22(30)26-6-5-16(12-26)27-18-4-2-1-3-17(18)25-21(27)29/h1-4,13-16,19H,5-12H2,(H2,24,28)(H,25,29)/t13?,14?,15?,16-,19-,23-/m0/s1
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| InChIKey |
MVPPPVJZWOFADD-BEWTZUMSSA-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