General Information of the Compound
| Compound ID |
CP0520704
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| Compound Name |
US8969325, 45
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| Structure |
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| Formula |
C24H30N4O4
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| Molecular Weight |
438.528
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccccc2O1
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| InChI |
InChI=1S/C24H30N4O4/c1-3-24(4-2)14-20(18-7-5-6-8-21(18)32-24)26-22(30)25-17-10-9-16-15-28(11-12-29)23(31)27-19(16)13-17/h5-10,13,20,29H,3-4,11-12,14-15H2,1-2H3,(H,27,31)(H2,25,26,30)/t20-/m1/s1
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| InChIKey |
SKAWWOYTXWKXPA-HXUWFJFHSA-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