General Information of the Compound
| Compound ID |
CP0483291
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| Compound Name |
US9464076, 84
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| Structure |
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| Formula |
C29H31N3O5S
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| Molecular Weight |
533.65
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(=O)[C@@H](N)C(C)C)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C29H31N3O5S/c1-15(2)25(30)29(35)37-14-18-7-6-8-22-21(18)11-12-23(31-22)32-28(34)26-16(3)24-19(13-36-5)9-10-20(17(4)33)27(24)38-26/h6-12,15,25H,13-14,30H2,1-5H3,(H,31,32,34)/t25-/m0/s1
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| InChIKey |
YXEOFCAGTMFZTC-VWLOTQADSA-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