General Information of the Compound
| Compound ID |
CP0934304
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| Compound Name |
US9163012, 63
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| Formula |
C23H27FN4O4
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| Molecular Weight |
442.491
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| Canonical SMILES |
NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](n4c(=O)[nH]c5cc(F)ccc54)C1)C(C3)C2
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| InChI |
InChI=1S/C23H27FN4O4/c24-15-1-2-18-17(7-15)26-21(30)28(18)16-3-4-27(11-16)22(31)32-19-13-5-12-6-14(19)10-23(8-12,9-13)20(25)29/h1-2,7,12-14,16,19H,3-6,8-11H2,(H2,25,29)(H,26,30)/t12?,13?,14?,16-,19-,23-/m0/s1
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| InChIKey |
DRYJBXBXDXEOAX-LXNKRIBQSA-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