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CAS No. : | 61379-65-5 | MDL No. : | MFCD00866806 |
Formula : | C47H64N4O12 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 877.03 | Pubchem ID : | - |
Synonyms : |
DL 473;Cyclopentylrifampicin;R 773;MDL473
|
Chemical Name : | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione |
Num. heavy atoms : | 63 |
Num. arom. heavy atoms : | 10 |
Fraction Csp3 : | 0.57 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 14.0 |
Num. H-bond donors : | 6.0 |
Molar Refractivity : | 251.34 |
TPSA : | 220.15 Ų |
GI absorption : | None |
BBB permeant : | None |
P-gp substrate : | None |
CYP1A2 inhibitor : | None |
CYP2C19 inhibitor : | None |
CYP2C9 inhibitor : | None |
CYP2D6 inhibitor : | None |
CYP3A4 inhibitor : | None |
Log Kp (skin permeation) : | None cm/s |
Log Po/w (iLOGP) : | None |
Log Po/w (XLOGP3) : | None |
Log Po/w (WLOGP) : | 4.32 |
Log Po/w (MLOGP) : | None |
Log Po/w (SILICOS-IT) : | None |
Consensus Log Po/w : | None |
Lipinski : | None |
Ghose : | None |
Veber : | None |
Egan : | None |
Muegge : | None |
Bioavailability Score : | None |
Log S (ESOL) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
Log S (Ali) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
Log S (SILICOS-IT) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
PAINS : | None alert |
Brenk : | None alert |
Leadlikeness : | None |
Synthetic accessibility : | None |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |