General Information of the Compound
| Compound ID |
CP0704869
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| Compound Name |
Cyclohexa-1,4-diene-1,2-dicarboxylic acid bis-[[2-(1H-indol-3-yl)-ethyl]-(3-thiomorpholin-4-yl-propyl)-amide]
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| Structure |
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| Formula |
C42H52N6O2S2
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| Molecular Weight |
737.052
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| Canonical SMILES |
O=C(c1ccccc1C(=O)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12)N(CCCN1CCSCC1)CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C42H52N6O2S2/c49-41(47(19-7-17-45-23-27-51-28-24-45)21-15-33-31-43-39-13-5-3-9-35(33)39)37-11-1-2-12-38(37)42(50)48(20-8-18-46-25-29-52-30-26-46)22-16-34-32-44-40-14-6-4-10-36(34)40/h1-6,9-14,31-32,43-44H,7-8,15-30H2
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| InChIKey |
GPYAAZVGXFVYBF-UHFFFAOYSA-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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