General Information of the Compound
| Compound ID |
CP0410967
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| Compound Name |
[4-[[1-[(3,5-dichlorophenyl)methoxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methylphosphonic acid
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| Structure |
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| Formula |
C21H23Cl2N2O6P
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| Molecular Weight |
501.303
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| Canonical SMILES |
OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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| InChIKey |
CYOVYGWNDHLPBF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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