General Information of the Compound
| Compound ID |
CP0509080
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| Compound Name |
US9212187, 318
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| Structure |
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| Formula |
C33H39N5O5
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| Molecular Weight |
585.705
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| Canonical SMILES |
CCN1c2ccc(CN(CCn3cc(C)c4occc4c3=O)Cc3cccnc3COC)cc2N(C)C(=O)C(C)(C)C1=O
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| InChI |
InChI=1S/C33H39N5O5/c1-7-38-27-11-10-23(17-28(27)35(5)31(40)33(3,4)32(38)41)19-36(20-24-9-8-13-34-26(24)21-42-6)14-15-37-18-22(2)29-25(30(37)39)12-16-43-29/h8-13,16-18H,7,14-15,19-21H2,1-6H3
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| InChIKey |
DIWJUIXPQZRWDB-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