General Information of the Compound
| Compound ID |
CP0369554
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| Compound Name |
methyl N-[4-[(3R)-1-(5-aminopentanoyl)piperidin-3-yl]-4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxybutyl]carbamate
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| Structure |
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| Formula |
C30H42FN3O4
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| Molecular Weight |
527.681
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CCCCN
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| InChI |
InChI=1S/C30H42FN3O4/c1-3-22-10-6-11-23(20-22)28-25(13-7-14-26(28)31)30(37,16-9-18-33-29(36)38-2)24-12-8-19-34(21-24)27(35)15-4-5-17-32/h6-7,10-11,13-14,20,24,37H,3-5,8-9,12,15-19,21,32H2,1-2H3,(H,33,36)/t24-,30?/m1/s1
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| InChIKey |
AGBTXTCHHBIZAM-DDAUYOFQSA-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