General Information of the Compound
| Compound ID |
CP0503839
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| Compound Name |
US8772323, 44
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| Structure |
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| Formula |
C26H31N5O3
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| Molecular Weight |
461.566
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C26H31N5O3/c1-3-18-17-24(32)28-29-25(18)20-6-9-22-23(16-20)34-26(27-22)19-4-7-21(8-5-19)33-15-14-31-12-10-30(2)11-13-31/h4-9,16,18H,3,10-15,17H2,1-2H3,(H,28,32)
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| InChIKey |
SRMDLRSQDHGXSX-UHFFFAOYSA-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