General Information of the Compound
| Compound ID |
CP0255937
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-[2-(methylamino)ethylcarbamoyl]piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C29H41FN4O4
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| Molecular Weight |
528.669
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)NCCNC
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| InChI |
InChI=1S/C29H41FN4O4/c1-4-21-9-5-10-22(19-21)26-24(12-6-13-25(26)30)29(37,14-8-15-33-28(36)38-3)23-11-7-18-34(20-23)27(35)32-17-16-31-2/h5-6,9-10,12-13,19,23,31,37H,4,7-8,11,14-18,20H2,1-3H3,(H,32,35)(H,33,36)/t23-,29?/m1/s1
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| InChIKey |
JYDZXHPYSHSZFS-WIZGVZBGSA-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