General Information of the Compound
| Compound ID |
CP0571487
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| Compound Name |
US8772323, 163
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC(CC2)C#N)cc1
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| InChI |
InChI=1S/C27H29N5O3/c1-2-19-16-25(33)30-31-26(19)21-5-8-23-24(15-21)35-27(29-23)20-3-6-22(7-4-20)34-14-13-32-11-9-18(17-28)10-12-32/h3-8,15,18-19H,2,9-14,16H2,1H3,(H,30,33)
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| InChIKey |
FVEXYOWYLGTZPO-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