General Information of the Compound
| Compound ID |
CP0531672
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| Compound Name |
US8802711, 49
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| Structure |
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| Formula |
C19H26N4O
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| Molecular Weight |
326.444
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](C1)C1CCCCC1)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C19H26N4O/c24-19(22-17-7-4-8-18-16(17)12-20-23-18)21-15-10-9-14(11-15)13-5-2-1-3-6-13/h4,7-8,12-15H,1-3,5-6,9-11H2,(H,20,23)(H2,21,22,24)/t14-,15+/m1/s1
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| InChIKey |
RVOBNXHEQUSXBI-CABCVRRESA-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