General Information of the Compound
| Compound ID |
CP0116189
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| Compound Name |
US8933228, 6
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| Structure |
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| Formula |
C32H29N7O3
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| Molecular Weight |
559.63
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
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| InChI |
InChI=1S/C32H29N7O3/c1-19-9-11-20(12-10-19)39-27(17-26(38-39)32(2,3)4)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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| InChIKey |
SMWGCUOXWXYZPF-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