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CAS No. : | 133052-90-1 | MDL No. : | MFCD00236428 |
Formula : | C25H24N4O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QMGUOJYZJKLOLH-UHFFFAOYSA-N |
M.W : | 412.48 | Pubchem ID : | 2396 |
Synonyms : |
Go 6850;GF109203X;GO6850. BIMI.;bisindolylmaleimide;Gö 6850;BIM I
|
Num. heavy atoms : | 31 |
Num. arom. heavy atoms : | 18 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 127.17 |
TPSA : | 70.13 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -6.62 cm/s |
Log Po/w (iLOGP) : | 2.42 |
Log Po/w (XLOGP3) : | 3.1 |
Log Po/w (WLOGP) : | 3.26 |
Log Po/w (MLOGP) : | 2.4 |
Log Po/w (SILICOS-IT) : | 4.17 |
Consensus Log Po/w : | 3.07 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.38 |
Solubility : | 0.017 mg/ml ; 0.0000413 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.24 |
Solubility : | 0.0237 mg/ml ; 0.0000574 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -8.01 |
Solubility : | 0.00000407 mg/ml ; 0.0000000099 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.47 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P201-P202-P280-P308+P313-P405-P501 | UN#: | N/A |
Hazard Statements: | H351 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
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