General Information of the Compound
| Compound ID |
CP0252853
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| Compound Name |
ALNIDITAN
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| Synonyms |
Pasmigren
152317-89-0
2-((3-(((R)-2-Chromanylmethyl)amino)propyl)amino)-1,4,5,6-tetrahydropyrimidine
AC1L24EQ
AC1Q4UFC
Alniditan
Alniditan [INN:BAN]
B57Z82EOGE
BDBM50403503
CHEMBL88240
CS-6739
GTPL117
GTPL120
HY-101698
N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
PDSP1_001399
PDSP2_001383
R-091274
SCHEMBL717887
UNII-B57Z82EOGE
ZINC1536693
[3H]alniditan
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| Structure |
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| Formula |
C17H26N4O
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| Molecular Weight |
302.422
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| Canonical SMILES |
C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1
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| InChI |
InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
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| InChIKey |
QVSXOXCYXPQXMF-OAHLLOKOSA-N
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| CAS |
152317-89-0
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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
Clinical Information about the Compound