General Information of the Compound
| Compound ID |
CP0459454
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| Compound Name |
AZD-2624
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| Synonyms |
3-[(methanesulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
3-methanesulfonamido-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
3U471ZVC5K
4-Quinolinecarboxamide, 3-((methylsulfonyl)amino)-2-phenyl-N-((1S)-1-phenylpropyl)-
941690-55-7
AKOS032946112
AZ124752520
AZD-2624
AZD2624
BDBM50180193
CHEBI:140478
CHEMBL3545233
CS-7979
DB11692
GTPL5775
HY-14432
KB-74807
MLE4901
Pavinetant
Pavinetant [USAN]
QYTBBBAHNIWFOD-NRFANRHFSA-N
SCHEMBL3587478
UNII-3U471ZVC5K
pavinetantum
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| Structure |
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| Formula |
C26H25N3O3S
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| Molecular Weight |
459.571
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
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| InChIKey |
QYTBBBAHNIWFOD-NRFANRHFSA-N
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| CAS |
941690-55-7
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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