Linker Information
General Information of This Linker
| Linker ID |
LIN00044
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| Linker Name |
2-(4-(aminomethyl)benzamido)-3-(naphthalen-2-yl)propanoic acid
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| Structure |
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| Formula |
C21H20N2O3
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 348.402 | ||||
| Lipid-water partition coefficient (xlogp) | 2.7242 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 3 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 3 | |||||
| Rotatable Bond Count (rotbonds) | 6 | |||||
| Canonical smiles |
NCc1ccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)cc1
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| InChI |
InChI=1S/C21H20N2O3/c22-13-14-5-9-17(10-6-14)20(24)23-19(21(25)26)12-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,22H2,(H,23,24)(H,25,26)/t19-/m0/s1
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| InChIKey |
QZEZKYQBBMSRSY-IBGZPJMESA-N
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Each Peptide-drug Conjugate Related to This Linker