General Information of the Compound
| Compound ID |
CP0557004
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| Compound Name |
US8772323, 253
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)C1CC1
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| InChI |
InChI=1S/C18H21N3O2/c1-3-4-13-10(2)16(20-21-17(13)22)12-7-8-14-15(9-12)23-18(19-14)11-5-6-11/h7-11,13H,3-6H2,1-2H3,(H,21,22)/t10-,13-/m1/s1
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| InChIKey |
NRUSALWCTDFJBE-ZWNOBZJWSA-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