General Information of the Compound
| Compound ID |
CP0513450
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| Compound Name |
US9428456, 1.088
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| Structure |
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| Formula |
C27H38N6O2
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| Molecular Weight |
478.641
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| Canonical SMILES |
CN(C)c1nc(C)cc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H38N6O2/c1-19-16-24(31-27(28-19)32(2)3)26(35)30-23-11-7-8-20(17-23)18-33-14-12-21(13-15-33)25(34)29-22-9-5-4-6-10-22/h7-8,11,16-17,21-22H,4-6,9-10,12-15,18H2,1-3H3,(H,29,34)(H,30,35)
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| InChIKey |
YECNLKWVQKAKPU-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