General Information of the Compound
| Compound ID |
CP0278709
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| Compound Name |
(1R,9R)-5-(4-Amino-butyl)-2-(1H-indol-3-ylmethyl)-7-naphthalen-1-ylmethyl-[1,4,7]thiadiazonane-3,6-dione
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| Structure |
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| Formula |
C30H34N4O2S
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| Molecular Weight |
514.695
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| Canonical SMILES |
NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O
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| InChI |
InChI=1S/C30H34N4O2S/c31-15-6-5-14-27-30(36)34(20-22-10-7-9-21-8-1-2-11-24(21)22)16-17-37-28(29(35)33-27)18-23-19-32-26-13-4-3-12-25(23)26/h1-4,7-13,19,27-28,32H,5-6,14-18,20,31H2,(H,33,35)/t27-,28-/m1/s1
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| InChIKey |
SXFAVCVNXOMZST-VSGBNLITSA-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