General Information of the Compound
| Compound ID |
CP0444195
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| Compound Name |
CHEMBL4791514
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| Formula |
C37H62N8O6S2
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| Molecular Weight |
779.087
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| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12
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| InChI |
InChI=1S/C37H62N8O6S2/c1-37(2)26-45-30(25-53-36(45)44-37)24-52-35(42-28-11-7-6-8-12-28)43-29-15-13-27(14-16-29)19-41-34(49)23-51-22-33(48)40-18-10-5-4-9-17-39-32(47)21-50-20-31(46)38-3/h25,27-29H,4-24,26H2,1-3H3,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,43)/t27-,29-
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| InChIKey |
HTRADHDPEWKPQU-KWQFAZJVSA-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