General Information of the Compound
| Compound ID |
CP0942604
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| Compound Name |
SID85799028
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| Structure |
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| Formula |
C38H39N5O5
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| Molecular Weight |
645.76
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C38H39N5O5/c1-24-21-43(25(2)23-44)36(45)31-20-28(39-37(46)40-32-16-8-12-26-10-4-6-14-29(26)32)18-19-34(31)48-35(24)22-42(3)38(47)41-33-17-9-13-27-11-5-7-15-30(27)33/h4-20,24-25,35,44H,21-23H2,1-3H3,(H,41,47)(H2,39,40,46)/t24-,25-,35-/m1/s1
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| InChIKey |
FNTABFUQUJNMSE-YJYIJQSESA-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