General Information of the Compound
| Compound ID |
CP0405656
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| Compound Name |
US10028961, Compound 16
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| Structure |
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| Formula |
C20H27N5O
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| Molecular Weight |
353.47
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(CO)c1)C1CC1
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| InChI |
InChI=1S/C20H27N5O/c1-12(15-6-7-15)21-19-23-18(17-5-3-4-14(10-17)11-26)24-20(25-19)22-13(2)16-8-9-16/h3-5,10,12-13,15-16,26H,6-9,11H2,1-2H3,(H2,21,22,23,24,25)/t12-,13-/m1/s1
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| InChIKey |
DXDMRKXHWQBBBA-CHWSQXEVSA-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