General Information of the Compound
| Compound ID |
CP0401779
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| Compound Name |
US10028961, Compound 327
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| Structure |
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| Formula |
C18H24N6O
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| Molecular Weight |
340.431
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(O)n1)C1CC1
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| InChI |
InChI=1S/C18H24N6O/c1-10(12-6-7-12)19-17-22-16(14-4-3-5-15(25)21-14)23-18(24-17)20-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H,21,25)(H2,19,20,22,23,24)/t10-,11-/m1/s1
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| InChIKey |
XCJURBVXBCWXNR-GHMZBOCLSA-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