General Information of the Compound
| Compound ID |
CP0454037
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| Compound Name |
10-[4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carbonyl]oxydecyl-trimethylazanium
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| Structure |
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| Formula |
C31H47N4O5+
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| Molecular Weight |
555.74
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OCCCCCCCCCC[N+](C)(C)C
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| InChI |
InChI=1S/C31H46N4O5/c1-21(2)39-31(37)27-23(4)32-22(3)26(28(27)24-17-16-18-25-29(24)34-40-33-25)30(36)38-20-15-13-11-9-8-10-12-14-19-35(5,6)7/h16-18,21,28H,8-15,19-20H2,1-7H3/p+1
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| InChIKey |
MPZILEAILJCTEU-UHFFFAOYSA-O
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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