General Information of the Compound
| Compound ID |
CP0543921
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| Compound Name |
US11180482, Example I-2
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| Structure |
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| Formula |
C23H27ClN5O2P
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| Molecular Weight |
471.929
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| Canonical SMILES |
COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
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| InChI |
InChI=1S/C23H27ClN5O2P/c1-29-10-9-15-12-20(31-2)19(11-16(15)14-29)27-23-25-13-17(24)22(28-23)26-18-7-5-6-8-21(18)32(3,4)30/h5-8,11-13H,9-10,14H2,1-4H3,(H2,25,26,27,28)
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| InChIKey |
QWCVGHXDHVKGAQ-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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