ID: ALA5193197

Max Phase: Preclinical

Molecular Formula: C65H79N11O7

Molecular Weight: 1126.42

Representations

Canonical SMILES:  CCCCCCOC(C)C1=C(C)c2cc3nc(c4c5[nH]c(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCCCCn1cc(-c2cccc(Nc4ncnc5cc(OCCOC)c(OCCOC)cc45)c2)nn1)[C@@H]3C

Standard InChI:  InChI=1S/C65H79N11O7/c1-10-12-13-16-24-81-42(7)61-40(5)51-32-50-39(4)46(63(72-50)48-30-57(77)62-41(6)52(73-64(48)62)33-54-45(11-2)38(3)49(70-54)34-55(61)71-51)20-21-60(78)66-22-14-15-23-76-36-56(74-75-76)43-18-17-19-44(29-43)69-65-47-31-58(82-27-25-79-8)59(83-28-26-80-9)35-53(47)67-37-68-65/h17-19,29,31-37,39,42,46,70,73H,10-16,20-28,30H2,1-9H3,(H,66,78)(H,67,68,69)/b49-34-,50-32-,51-32-,52-33-,54-33-,55-34-,63-48-/t39-,42?,46-/m0/s1

Standard InChI Key:  KAFGQUOBXPGSJG-CVWLCPOXSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 1126.42

Molecular Weight (Monoisotopic): 1125.6164

AlogP:

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HBA:

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CX Acidic pKa:

CX Basic pKa:

CX LogP:

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References

1. Otvagin VF, Kuzmina NS, Kudriashova ES, Nyuchev AV, Gavryushin AE, Fedorov AY..  (2022)  Conjugates of Porphyrinoid-Based Photosensitizers with Cytotoxic Drugs: Current Progress and Future Directions toward Selective Photodynamic Therapy.,  65  (3.0): [PMID:35050607] [10.1021/acs.jmedchem.1c01953]

Source

Source(1):

• Scientific Literature