General Information of the Compound
| Compound ID |
CP0426556
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| Compound Name |
US8791272, 2.33
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C27H35N3O3/c1-3-23-22(14-25(31)32)24(4-2)30(29-23)15-16-5-7-21(8-6-16)28-27(33)26-19-10-17-9-18(12-19)13-20(26)11-17/h5-8,17-20,26H,3-4,9-15H2,1-2H3,(H,28,33)(H,31,32)/t17-,18+,19-,20+,26?
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| InChIKey |
HKHOGOMFGJBOCK-YWRPIJFUSA-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