General Information of the Compound
| Compound ID |
CP0548972
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| Compound Name |
ethyl (3S)-3-(acetamidomethyl)-6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indole-2-carboxylate
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| Structure |
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| Formula |
C18H22N2O4
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| Molecular Weight |
330.384
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| Canonical SMILES |
CCOC(=O)c1[nH]c2ccc(OC)c3CC[C@H](CNC(C)=O)c1c23
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| InChI |
InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)/t11-/m1/s1
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| InChIKey |
DUNRUGPYEDPFRL-LLVKDONJSA-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B