General Information of the Compound
| Compound ID |
CP0921486
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| Compound Name |
MOTILIN_059
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| Structure |
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| Formula |
C25H28FN5O2
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| Molecular Weight |
449.53
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| Canonical SMILES |
Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ncc1CN1CCN[C@@H](C)C1
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| InChI |
InChI=1S/C25H28FN5O2/c1-17-12-23(28-14-20(17)16-31-11-10-27-18(2)15-31)30(3)25(32)19-4-9-24(29-13-19)33-22-7-5-21(26)6-8-22/h4-9,12-14,18,27H,10-11,15-16H2,1-3H3/t18-/m0/s1
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| InChIKey |
FBILDSAANWEWAK-SFHVURJKSA-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