General Information of the Compound
| Compound ID |
CP0930559
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| Compound Name |
SID131458696
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| Structure |
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| Formula |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
CCCN1[C@H](C(=O)N2CCOCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21
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| InChI |
InChI=1S/C27H33N3O4/c1-2-12-29-24-21(22(18-31)25(29)27(33)28-13-15-34-16-14-28)17-30-23(24)11-10-20(26(30)32)9-8-19-6-4-3-5-7-19/h3-11,21-22,24-25,31H,2,12-18H2,1H3/b9-8+/t21-,22-,24+,25-/m0/s1
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| InChIKey |
NZLKRVUICWLRIM-KDBHRCOASA-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