General Information of the Compound
| Compound ID |
CP0551372
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| Compound Name |
CHEMBL4473729
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| Formula |
C22H36N4O4S
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| Molecular Weight |
452.621
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| Canonical SMILES |
CCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C22H36N4O4S/c1-2-11-23-18-7-3-16(4-8-18)15-31(28,29)26-12-9-19(10-13-26)24-22(27)20-14-21(30-25-20)17-5-6-17/h14,16-19,23H,2-13,15H2,1H3,(H,24,27)/t16-,18-
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| InChIKey |
RFUFFOBOFVCBCU-SAABIXHNSA-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