General Information of the Compound
| Compound ID |
CP0472194
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| Compound Name |
US9428456, 1.194
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| Structure |
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| Formula |
C28H39N5O2S
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| Molecular Weight |
509.72
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cnc(s2)N2CCCC2)c1
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| InChI |
InChI=1S/C28H39N5O2S/c1-20(32-16-12-21(13-17-32)26(34)30-23-9-3-2-4-10-23)22-8-7-11-24(18-22)31-27(35)25-19-29-28(36-25)33-14-5-6-15-33/h7-8,11,18-21,23H,2-6,9-10,12-17H2,1H3,(H,30,34)(H,31,35)
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| InChIKey |
LQRUHYQRUOWYMF-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