General Information of the Compound
| Compound ID |
CP0171484
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| Compound Name |
5-MCA-NAT
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| Synonyms |
190277-13-5
5-MCA-NAT
5-Methoxycarbonylamino-N-acetyltryptamine
5-methoxycarbonylamino-N-acetyltryptamine
5MCA-NAT
AC1N7T0H
BDBM50260394
BN0231
CHEBI:93457
CHEMBL504585
CTK6J2921
DTXSID70401560
GR 135531
GTPL3393
HMS3266P16
MPZVHKLZCUEJFO-UHFFFAOYSA-N
Methyl [3-[2-(acetylamino)ethyl]-1H-indol-5-yl]carbamate
Methyl {3-[2-(Acetylamino)ethyl]-1h-Indol-5-Yl}carbamate
MolPort-003-848-587
PDSP2_001790
SCHEMBL4655625
Tocris-0896
ZINC2567732
methyl 3-(2-acetamidoethyl)-1H-indol-5-ylcarbamate
methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
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| Structure |
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| Formula |
C14H17N3O3
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| Molecular Weight |
275.308
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| Canonical SMILES |
COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
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| InChIKey |
MPZVHKLZCUEJFO-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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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
Protein ID: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]
Clinical Information about the Compound