3LH
N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Created: | 2014-09-12 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 53 |
Chiral Atom Count | 0 |
Bond Count | 57 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide |
Systematic Name (OpenEye OEToolkits) | N-[2-methyl-5-[2-oxidanylidene-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]propanamide |
Formula | C25 H21 N5 O2 |
Molecular Weight | 423.467 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1cc(ccc1C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5 |
Canonical SMILES | CACTVS | 3.385 | CCC(=O)Nc1cc(ccc1C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5 |
InChI | InChI | 1.03 | InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31) |
InChIKey | InChI | 1.03 | FGMGIQHLZVOAHB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137348155 |