General Information of the Compound
| Compound ID |
CP0442825
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| Compound Name |
US9216182, 1.75
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| Structure |
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| Formula |
C21H30N4O3
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| Molecular Weight |
386.496
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| Canonical SMILES |
NC(=O)c1ccc(cc1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H30N4O3/c22-20(26)16-4-6-18(7-5-16)23-10-8-19(9-11-23)28-21(27)25-14-12-24(13-15-25)17-2-1-3-17/h4-7,17,19H,1-3,8-15H2,(H2,22,26)
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| InChIKey |
YFYWEUOQGPFWPP-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