Linker Information
General Information of This Linker
| Linker ID |
LIN00166
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| Linker Name |
PC4AP
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| Linker Type |
Photosensitive linker
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| Structure |
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| Formula |
C28H32N4O16S
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| #Ro5 Violations (Lipinski): 3 | Molecular Weight (mw) | 712.643 | ||||
| Lipid-water partition coefficient (xlogp) | 2.1663 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 2 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 17 | |||||
| Rotatable Bond Count (rotbonds) | 16 | |||||
| Canonical smiles |
COc1cc(COC2CC(OC(N)=O)C(CON3C(=O)CC(S)C3=O)(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])O2)c([N+](=O)[O-])cc1OC
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| InChI |
InChI=1S/C28H32N4O16S/c1-40-18-5-14(16(31(36)37)7-20(18)42-3)11-44-25-10-23(47-27(29)35)28(48-25,13-46-30-24(33)9-22(49)26(30)34)45-12-15-6-19(41-2)21(43-4)8-17(15)32(38)39/h5-8,22-23,25,49H,9-13H2,1-4H3,(H2,29,35)
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| InChIKey |
DBGVKOJDYGVAGD-UHFFFAOYSA-N
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Each Peptide-drug Conjugate Related to This Linker