ID: ALA5202232

Max Phase: Preclinical

Molecular Formula: C62H63N7O8

Molecular Weight: 1034.23

Representations

Canonical SMILES:  CCc1c(C)c2cc3nc(cc4nc(c5c6[nH]c(cc1[nH]2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)C(C)=C3COCc1cccc(C#Cc2cccc(Nc3ncnc4cc(OCCOC)c(OCCOC)cc34)c2)c1

Standard InChI:  InChI=1S/C62H63N7O8/c1-9-43-35(2)49-29-54-47(37(4)48(67-54)28-50-36(3)44(18-19-58(71)74-8)60(68-50)46-26-55(70)59-38(5)51(69-61(46)59)30-53(43)66-49)33-75-32-41-14-10-12-39(24-41)16-17-40-13-11-15-42(25-40)65-62-45-27-56(76-22-20-72-6)57(77-23-21-73-7)31-52(45)63-34-64-62/h10-15,24-25,27-31,34,36,44,66,69H,9,18-23,26,32-33H2,1-8H3,(H,63,64,65)/b48-28-,49-29-,50-28-,51-30-,53-30-,54-29-,60-46-/t36-,44-/m0/s1

Standard InChI Key:  HYIZARGDJNDVOK-ZVVOHXGHSA-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: 1034.23

Molecular Weight (Monoisotopic): 1033.4738

AlogP:

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HBA:

HBD:

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CX Acidic pKa:

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CX LogP:

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Np Likeness Score:

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