General Information of the Compound
| Compound ID |
CP0446152
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| Compound Name |
US9447038, 121
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| Structure |
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| Formula |
C30H37N3O7
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| Molecular Weight |
551.64
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| Canonical SMILES |
COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
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| InChI |
InChI=1S/C30H37N3O7/c1-20(2)18-32(24(17-29(35)36)22-6-8-25-23(16-22)10-13-39-25)19-21-5-7-26(27(15-21)38-4)40-14-12-33-28(34)9-11-31(3)30(33)37/h5-9,11,15-16,20,24H,10,12-14,17-19H2,1-4H3,(H,35,36)
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| InChIKey |
HRBJRJICAXJECH-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