General Information of the Compound
| Compound ID |
CP0470137
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| Compound Name |
US9227956, 13
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
COC(=O)c1c(cnn1C)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1C
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| InChI |
InChI=1S/C24H27N5O3/c1-16-6-4-13-26-22(16)29(19-7-5-12-25-14-19)23(30)18-10-8-17(9-11-18)20-15-27-28(2)21(20)24(31)32-3/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3/t19-/m1/s1
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| InChIKey |
VDRAMRAAPSBWGS-LJQANCHMSA-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