General Information of the Compound
| Compound ID |
CP0518572
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| Compound Name |
US8772323, 241
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@H]2CCCN2C(C)C)cc1
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| InChI |
InChI=1S/C27H32N4O3/c1-4-18-15-25(32)29-30-26(18)20-9-12-23-24(14-20)34-27(28-23)19-7-10-22(11-8-19)33-16-21-6-5-13-31(21)17(2)3/h7-12,14,17-18,21H,4-6,13,15-16H2,1-3H3,(H,29,32)/t18?,21-/m1/s1
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| InChIKey |
BHWCYYVRWYIONW-BDPMCISCSA-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