General Information of the Compound
| Compound ID |
CP0954964
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| Compound Name |
MOTILIN_023
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| Structure |
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| Formula |
C27H31FN4O
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| Molecular Weight |
446.57
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| Canonical SMILES |
Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1
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| InChI |
InChI=1S/C27H31FN4O/c1-18-15-32(16-19(2)29-18)17-21-5-11-24(12-6-21)31(4)27(33)25-13-14-26(30-20(25)3)22-7-9-23(28)10-8-22/h5-14,18-19,29H,15-17H2,1-4H3/t18-,19+
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| InChIKey |
CNZSGVDMFCIGCV-KDURUIRLSA-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