General Information of the Compound
| Compound ID |
CP0549181
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| Compound Name |
US8993586, 115
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| Structure |
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| Formula |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5CC5)c4c3)NC(=O)c2n1
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| InChI |
InChI=1S/C27H32N6O2/c1-26(2,3)33-16-19-15-27(30-24(34)22(19)31-33)9-12-32(13-10-27)25(35)18-5-4-17-8-11-28-23(21(17)14-18)29-20-6-7-20/h4-5,8,11,14,16,20H,6-7,9-10,12-13,15H2,1-3H3,(H,28,29)(H,30,34)
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| InChIKey |
NCDYXYMUUPULLH-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