General Information of the Compound
| Compound ID |
CP0912665
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| Compound Name |
SID87218837
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| Structure |
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| Formula |
C37H43N3O6S
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| Molecular Weight |
657.833
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1
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| InChI |
InChI=1S/C37H43N3O6S/c1-26-22-40(27(2)25-41)37(42)21-31-20-32(38-47(43,44)34-17-15-33(45-4)16-18-34)14-19-35(31)46-36(26)24-39(3)23-28-10-12-30(13-11-28)29-8-6-5-7-9-29/h5-20,26-27,36,38,41H,21-25H2,1-4H3/t26-,27+,36+/m0/s1
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| InChIKey |
RZMKFQMJULYPIX-DXZWXPFGSA-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