General Information of the Compound
| Compound ID |
CP0394802
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| Compound Name |
US9353081, 47
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
CCC(=O)N[C@@H]1[C@@H](C)CCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
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| InChI |
InChI=1S/C23H27N3O2/c1-4-21(27)25-23-14(2)5-8-17-18(12-24-13-19(17)23)15-6-9-20-16(11-15)7-10-22(28)26(20)3/h6,9,11-14,23H,4-5,7-8,10H2,1-3H3,(H,25,27)/t14-,23+/m0/s1
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| InChIKey |
LFQHLXKJVGDOPH-LFVRLGFBSA-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