General Information of the Compound
| Compound ID |
CP0851520
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| Compound Name |
SID131462082
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| Structure |
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C30H32N4O3/c1-37-28-10-3-2-9-25(28)32-30(36)33-15-4-5-16-34-26(19-33)29(27(34)20-35)23-13-11-22(12-14-23)24-8-6-7-21(17-24)18-31/h2-3,6-14,17,26-27,29,35H,4-5,15-16,19-20H2,1H3,(H,32,36)/t26-,27+,29-/m1/s1
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| InChIKey |
WYTFSBUXHVGTCT-IUAQSZDVSA-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