General Information of the Compound
| Compound ID |
CP0907200
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| Compound Name |
SID131443346
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| Structure |
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| Formula |
C34H33N3O5
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| Molecular Weight |
563.654
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| Canonical SMILES |
O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H33N3O5/c38-21-31-34-29(28-17-26(10-11-30(28)42-34)37-33(40)16-22-12-14-35-15-13-22)18-27(41-31)19-32(39)36-20-23-6-8-25(9-7-23)24-4-2-1-3-5-24/h1-15,17,27,29,31,34,38H,16,18-21H2,(H,36,39)(H,37,40)/t27-,29+,31-,34-/m0/s1
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| InChIKey |
YMSKWYMQPFWTFK-NHKZGEBTSA-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