General Information of the Compound
| Compound ID |
CP0945626
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| Compound Name |
US8921559, 19
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| Structure |
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| Formula |
C31H39N5O4
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| Molecular Weight |
545.684
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| Canonical SMILES |
CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1
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| InChI |
InChI=1S/C31H39N5O4/c1-2-40-30(38)22-6-5-7-24(18-22)35-31(39)36-16-14-21(15-17-36)28(29(32)37)34-23-12-10-20(11-13-23)26-19-33-27-9-4-3-8-25(26)27/h3-9,18-21,23,28,33-34H,2,10-17H2,1H3,(H2,32,37)(H,35,39)
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| InChIKey |
ITMVVZOLICQJAV-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