General Information of the Compound
| Compound ID |
CP0571492
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| Compound Name |
US8772323, 245
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| Structure |
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| Formula |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC3(CCCCC3)CC2)cc1
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| InChI |
InChI=1S/C31H38N4O3/c1-2-22-21-28(36)33-34-29(22)24-8-11-26-27(20-24)38-30(32-26)23-6-9-25(10-7-23)37-19-18-35-16-14-31(15-17-35)12-4-3-5-13-31/h6-11,20,22H,2-5,12-19,21H2,1H3,(H,33,36)
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| InChIKey |
JVZWVZRSXRUIPN-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