General Information of the Compound
| Compound ID |
CP0931560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49681549
Show/Hide
|
||||||||||||||||||
| Synonyms |
133073-73-1
4-Amino-10-methylfolic acid hydrate
6745-93-3
84DMZ3IHO0
AC1L4WT9
AC1Q5QR4
Abitrexate(Methotrexate)/
Antifolan hydrate
C20H22N8O5.xH2O
CH4474
L-Amethopterin hydrate
L-Amethopterin hydrate, 98%
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS]
MLS000758248
MLS001401431
MTX hydrate
Methotrexate hydrate
Methotrexate hydrate(1:x)
Methotrexate monohydrate
Methotrexate trihydrate
Methylaminopterin hydrate
SCHEMBL1230252
SMR000449324
UNII-84DMZ3IHO0
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N8O6
|
||||||||||||||||||
| Molecular Weight |
472.462
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPJYMUQSRFJSEW-ZOWNYOTGSA-N
|
||||||||||||||||||
| CAS |
6745-93-3
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT06101, Latent membrane protein 1
Clinical Information about the Compound