General Information of the Compound
| Compound ID |
CP0268614
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| Compound Name |
US9464076, 38
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| Structure |
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| Formula |
C28H29N3O4S
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| Molecular Weight |
503.624
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(CN4CC[C@H](O)C4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C28H29N3O4S/c1-16-25-18(15-35-3)8-9-21(17(2)32)27(25)36-26(16)28(34)30-24-12-19(13-31-11-10-20(33)14-31)22-6-4-5-7-23(22)29-24/h4-9,12,20,33H,10-11,13-15H2,1-3H3,(H,29,30,34)/t20-/m0/s1
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| InChIKey |
UXOLHRWLSKHKNL-FQEVSTJZSA-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