General Information of the Compound
| Compound ID |
CP0427688
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| Compound Name |
CHEMBL4544413
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| Formula |
C21H34N4O4S
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| Molecular Weight |
438.594
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| Canonical SMILES |
CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C21H34N4O4S/c1-2-22-17-7-3-15(4-8-17)14-30(27,28)25-11-9-18(10-12-25)23-21(26)19-13-20(29-24-19)16-5-6-16/h13,15-18,22H,2-12,14H2,1H3,(H,23,26)/t15-,17-
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| InChIKey |
DCLMAZOHJZIQAQ-JCNLHEQBSA-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