ID: ALA324430

Max Phase: Preclinical

Molecular Formula: C32H39N5O6Si

Molecular Weight: 617.78

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(N3CCCC3N3CCCC3OC(N)=O)cc1c2[Si](C)(C)C

Standard InChI:  InChI=1S/C32H39N5O6Si/c1-5-32(41)22-15-24-27-20(16-37(24)29(38)21(22)17-42-30(32)39)28(44(2,3)4)19-14-18(10-11-23(19)34-27)35-12-6-8-25(35)36-13-7-9-26(36)43-31(33)40/h10-11,14-15,25-26,41H,5-9,12-13,16-17H2,1-4H3,(H2,33,40)/t25?,26?,32-/m0/s1

Standard InChI Key:  CNJXYEMKAFQFEY-FFJARJNZSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 617.78

Molecular Weight (Monoisotopic): 617.2670

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Josien H, Bom D, Curran DP, Zheng Y, Chou T.  (1997)  7-Silylcamptothecins (silatecans): A new family of camptothecin antitumor agents,  7  (24): [10.1016/S0960-894X(97)10181-0]

Source

Source(1):

• Scientific Literature