Drug Name |
LM-1376
|
Indication |
Disease Entry |
ICD 11 |
Status |
REF |
Asthma |
CA23
|
Terminated |
[1] |
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
476.5 |
|
Logarithm of the Partition Coefficient (xlogp) |
5.7 |
Rotatable Bond Count (rotbonds) |
8 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C30H24N2O4
- IUPAC Name
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]ethyl]benzoic acid
- Canonical SMILES
-
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=CC(=C4)C(=O)NCCC5=CC=C(C=C5)C(=O)O)C=C3
- InChI
-
InChI=1S/C30H24N2O4/c33-29(31-16-15-20-5-7-23(8-6-20)30(34)35)24-10-9-21-12-14-27(18-25(21)17-24)36-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,33)(H,34,35)
- InChIKey
-
IXSRNSVQRMOPTQ-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 9891157
- TTD ID
- D00YOW
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