General Information of the Compound
| Compound ID |
CP0450166
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| Compound Name |
US8969325, 179
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(ccc34)C(C)(C)C)cc2NC1=O
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| InChI |
InChI=1S/C23H28N4O2/c1-23(2,3)16-7-9-18-14(11-16)6-10-19(18)25-21(28)24-17-8-5-15-13-27(4)22(29)26-20(15)12-17/h5,7-9,11-12,19H,6,10,13H2,1-4H3,(H,26,29)(H2,24,25,28)/t19-/m1/s1
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| InChIKey |
JTSGRJHEDWCLNS-LJQANCHMSA-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