General Information of the Compound
| Compound ID |
CP0518560
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| Compound Name |
US8993586, 120
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| Structure |
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| Formula |
C27H34N6O3
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| Molecular Weight |
490.608
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| Canonical SMILES |
COCCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C27H34N6O3/c1-26(2,3)33-17-20-16-27(30-24(34)22(20)31-33)8-12-32(13-9-27)25(35)19-6-5-18-7-10-28-23(21(18)15-19)29-11-14-36-4/h5-7,10,15,17H,8-9,11-14,16H2,1-4H3,(H,28,29)(H,30,34)
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| InChIKey |
ZDKJQHUUQXEHKB-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