General Information of the Compound
| Compound ID |
CP0952070
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| Compound Name |
MOTILIN_068
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| Structure |
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| Formula |
C25H31FN6O
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| Molecular Weight |
450.562
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| Canonical SMILES |
C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1
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| InChI |
InChI=1S/C25H31FN6O/c1-19-17-30(15-11-27-19)18-21-7-14-32(29-21)24-6-3-10-28-25(24)31-12-8-22(9-13-31)33-23-5-2-4-20(26)16-23/h2-7,10,14,16,19,22,27H,8-9,11-13,15,17-18H2,1H3/t19-/m0/s1
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| InChIKey |
PQHGQOVMIUJIQT-IBGZPJMESA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound