General Information of the Compound
| Compound ID |
CP0509031
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| Compound Name |
US8921370, 178
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
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| InChI |
InChI=1S/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
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| InChIKey |
ICLSGXPHOMUHDE-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