General Information of the Compound
| Compound ID |
CP0882467
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| Compound Name |
SID131409359
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| Structure |
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| Formula |
C41H46N4O5
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| Molecular Weight |
674.842
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C41H46N4O5/c1-28-23-45(29(2)27-46)41(48)22-31-20-33(42-40(47)21-32-25-44(4)37-13-9-8-12-36(32)37)16-19-38(31)50-39(28)26-43(3)24-30-14-17-35(18-15-30)49-34-10-6-5-7-11-34/h5-20,25,28-29,39,46H,21-24,26-27H2,1-4H3,(H,42,47)/t28-,29+,39+/m1/s1
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| InChIKey |
FKBDGSUSUALVGO-RCFCZGBRSA-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