General Information of the Compound
| Compound ID |
CP0512931
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| Compound Name |
US8921370, 36
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
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| InChI |
InChI=1S/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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| InChIKey |
ROVACBZWABKJSI-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