General Information of the Compound
| Compound ID |
CP0520554
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| Compound Name |
US8637507, C-60
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| Structure |
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| Formula |
C30H31N3O4
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| Molecular Weight |
497.595
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| Canonical SMILES |
CCCc1ccccc1NC(=O)c1cc(C)nc2cc(ccc12)-c1ccc(OCC(C)(C)C(O)=O)nc1
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| InChI |
InChI=1S/C30H31N3O4/c1-5-8-20-9-6-7-10-25(20)33-28(34)24-15-19(2)32-26-16-21(11-13-23(24)26)22-12-14-27(31-17-22)37-18-30(3,4)29(35)36/h6-7,9-17H,5,8,18H2,1-4H3,(H,33,34)(H,35,36)
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| InChIKey |
PWYWJDWBSZGIAB-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