General Information of the Compound
| Compound ID |
CP0322779
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| Compound Name |
CHEMBL4859017
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| Formula |
C21H26N4O4S
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| Molecular Weight |
430.53
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| Canonical SMILES |
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C21H26N4O4S/c1-12-2-9-16(30(28,29)25-14-5-7-15(26)8-6-14)10-17(12)18-11-23-21(22)19(24-18)20(27)13-3-4-13/h2,9-11,13-15,25-26H,3-8H2,1H3,(H2,22,23)/t14-,15-
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| InChIKey |
PXUUDOHYGXJCDO-SHTZXODSSA-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