| Drug Name |
Pyridopyrimidine derivative 1
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| Synonyms |
PMID28594589-Compound-TABLE3c10 |
| Drug Type |
Small molecular drug
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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) |
604.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.6 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C24H22FIN6O4
- IUPAC Name
2-[3-[5-(2-fluoro-4-iodoanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]anilino]acetamide - Canonical SMILES
-
CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NCC(=O)N)C
- InChI
-
InChI=1S/C24H22FIN6O4/c1-12-20-19(21(30(2)22(12)34)29-17-8-7-13(26)9-16(17)25)23(35)31(3)24(36)32(20)15-6-4-5-14(10-15)28-11-18(27)33/h4-10,28-29H,11H2,1-3H3,(H2,27,33)
- InChIKey
-
KAVFKXKOUQPGQL-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 118918608
- TTD ID
- D0PK6X
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