General Information of the Compound
| Compound ID |
CP0427691
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| Compound Name |
CHEMBL4465232
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| Formula |
C26H35ClN4O4S
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| Molecular Weight |
535.11
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| Canonical SMILES |
Clc1cccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1
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| InChI |
InChI=1S/C26H35ClN4O4S/c27-21-3-1-2-19(14-21)16-28-22-8-4-18(5-9-22)17-36(33,34)31-12-10-23(11-13-31)29-26(32)24-15-25(35-30-24)20-6-7-20/h1-3,14-15,18,20,22-23,28H,4-13,16-17H2,(H,29,32)/t18-,22-
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| InChIKey |
SABXPQMXGDEINY-LBZQVFOQSA-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