General Information of the Compound
| Compound ID |
CP0565573
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| Compound Name |
US8802711, 47
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| Structure |
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| Formula |
C21H25N5O
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| Molecular Weight |
363.465
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1CCC(C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C21H25N5O/c1-26(2)17-10-7-14(8-11-17)15-6-9-16(12-15)23-21(27)24-19-4-3-5-20-18(19)13-22-25-20/h3-5,7-8,10-11,13,15-16H,6,9,12H2,1-2H3,(H,22,25)(H2,23,24,27)/t15-,16?/m0/s1
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| InChIKey |
UAIXVDDRIGKSCV-VYRBHSGPSA-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