General Information of the Compound
| Compound ID |
CP0398299
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| Compound Name |
US9447038, 122
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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 |
CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C30H37N3O7/c1-4-5-12-32(24(19-29(35)36)22-7-9-25-23(18-22)11-15-39-25)20-21-6-8-26(27(17-21)38-3)40-16-14-33-28(34)10-13-31(2)30(33)37/h6-10,13,17-18,24H,4-5,11-12,14-16,19-20H2,1-3H3,(H,35,36)
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| InChIKey |
IKSIQQMWYSWFTD-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