General Information of the Compound
| Compound ID |
CP0466532
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| Compound Name |
CHEMBL4283439
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| Formula |
C33H45N3O8S
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| Molecular Weight |
643.803
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| Canonical SMILES |
CCOc1ccc2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)c2c1)S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+
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| InChIKey |
QKXJWFOKVQWEDZ-VCCCEUOBSA-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