BIAdb Cularimine 1967
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1967 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1967 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Cularimine 1967
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H21NO4 |
| Mol. mass | 327.37434 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Dicentra eximia
[edit] Function
Antineoplastic
[edit] General Properties
*Molecular Weight
327.37434
*Exact Mass
327.147058
*Molecular Formula
C19H21NO4
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C2C3=C(CCNC3CC4=CC(=C(C=C4O2)OC)OC)C=C1
*Isomeric Smiles
COC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1
*XLogP
2.8
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
49
