General Information of the Compound
| Compound ID |
CP0415254
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| Compound Name |
US8791272, 1.34
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C25H31N3O3/c1-14-22(12-23(29)30)15(2)28(27-14)13-16-3-5-21(6-4-16)26-25(31)24-19-8-17-7-18(10-19)11-20(24)9-17/h3-6,17-20,24H,7-13H2,1-2H3,(H,26,31)(H,29,30)/t17-,18+,19-,20+,24?
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| InChIKey |
JRMXUARTETXTMA-YNZYOZTCSA-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