General Information of the Compound
| Compound ID |
CP0347124
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| Compound Name |
US9303015, 44
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| Structure |
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| Formula |
C35H37Cl2N5O3
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| Molecular Weight |
646.619
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| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(Cl)c1N(C(=O)OC(C)(C)C)c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H37Cl2N5O3/c1-7-41(8-2)32-31(42(26-12-10-9-11-13-26)33(43)45-34(3,4)5)30(37)27-20-24(16-19-28(27)39-32)35(44,29-21-38-22-40(29)6)23-14-17-25(36)18-15-23/h9-22,44H,7-8H2,1-6H3
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| InChIKey |
PBIQIMKSLWQFDB-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