General Information of the Compound
| Compound ID |
CP0555501
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| Compound Name |
US9493474, 11B
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
CC1CC2CN(CC(O)c3ccc(cn3)C#N)CC2N1C[C@@H](O)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C26H30N4O4/c1-15-7-18-10-29(12-25(32)22-6-3-17(8-27)9-28-22)11-23(18)30(15)13-24(31)19-4-5-20-21(16(19)2)14-34-26(20)33/h3-6,9,15,18,23-25,31-32H,7,10-14H2,1-2H3/t15?,18?,23?,24-,25?/m1/s1
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| InChIKey |
XMHILLRLJYJYDJ-UXJLHDLASA-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