General Information of the Compound
| Compound ID |
CP0889186
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| Compound Name |
SID87542263
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| Structure |
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| Formula |
C36H46Cl2N4O5
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| Molecular Weight |
685.693
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
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| InChI |
InChI=1S/C36H46Cl2N4O5/c1-24-20-42(25(2)23-43)35(44)30-19-29(40-36(45)39-28-11-6-5-7-12-28)14-16-33(30)47-26(3)10-8-9-17-46-34(24)22-41(4)21-27-13-15-31(37)32(38)18-27/h5-7,11-16,18-19,24-26,34,43H,8-10,17,20-23H2,1-4H3,(H2,39,40,45)/t24-,25-,26+,34+/m0/s1
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| InChIKey |
CHFYKRHHVBHPRB-BEAGFIRGSA-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