General Information of the Compound
| Compound ID |
CP0008907
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| Compound Name |
N-[2-(diethylamino)ethyl]-1-ethyl-5-[3-[3-methyl-4-(methylsulfanylmethoxy)phenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C27H43N3O2S
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| Molecular Weight |
473.727
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCSC)c(C)c1
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| InChI |
InChI=1S/C27H43N3O2S/c1-8-27(9-2,22-13-15-24(21(6)19-22)32-20-33-7)25-16-14-23(30(25)12-5)26(31)28-17-18-29(10-3)11-4/h13-16,19H,8-12,17-18,20H2,1-7H3,(H,28,31)
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| InChIKey |
VVNHJQNOXRZEDR-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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Table of Molecular Bioactivities Related to the Compound