General Information of the Compound
| Compound ID |
CP0920582
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| Compound Name |
US8921559, 22
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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)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1
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| InChI |
InChI=1S/C31H39N5O4/c1-2-40-30(38)22-9-13-24(14-10-22)35-31(39)36-17-15-21(16-18-36)28(29(32)37)34-23-11-7-20(8-12-23)26-19-33-27-6-4-3-5-25(26)27/h3-6,9-10,13-14,19-21,23,28,33-34H,2,7-8,11-12,15-18H2,1H3,(H2,32,37)(H,35,39)
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| InChIKey |
LDVDJUMMMULUHD-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