General Information of the Compound
| Compound ID |
CP0550219
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| Compound Name |
US8901315, 402
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| Formula |
C24H36N4O3S
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| Molecular Weight |
460.644
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCOCC3)c2s1
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| InChI |
InChI=1S/C24H36N4O3S/c1-15-13-27(14-16(2)31-15)19-6-4-18(5-7-19)25-23(29)22-12-21-17(3)26-28(24(21)32-22)20-8-10-30-11-9-20/h12,15-16,18-20H,4-11,13-14H2,1-3H3,(H,25,29)/t15-,16+,18-,19-
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| InChIKey |
IGHPKPXKULGYLF-YOQCTACHSA-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