General Information of the Compound
| Compound ID |
CP0412181
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| Compound Name |
methyl N-[4-[(3R)-1-[(4R)-4-amino-5-hydroxypentanoyl]piperidin-3-yl]-4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxybutyl]carbamate
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| Structure |
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| Formula |
C30H42FN3O5
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| Molecular Weight |
543.68
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CC[C@@H](N)CO
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| InChI |
InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24-,30?/m1/s1
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| InChIKey |
JNWFRGOWDLWQQW-JGTWLXFQSA-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