General Information of the Compound
| Compound ID |
CP0402718
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| Compound Name |
US8829200, 18
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccc1C(=O)NCC1CCCO1
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| InChI |
InChI=1S/C27H30N6O2/c1-27(2,3)33-23-11-10-17(18-14-30-26(28)31-15-18)13-22(23)32-24(33)20-8-4-5-9-21(20)25(34)29-16-19-7-6-12-35-19/h4-5,8-11,13-15,19H,6-7,12,16H2,1-3H3,(H,29,34)(H2,28,30,31)
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| InChIKey |
XAUVXAPFCVJCMJ-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