General Information of the Compound
| Compound ID |
CP0399264
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| Compound Name |
propan-2-yl 2-[3-acetyl-5-[[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-2,6-dimethyl-4-propyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C31H45N3O5
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| Molecular Weight |
539.717
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| Canonical SMILES |
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
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| InChI |
InChI=1S/C31H45N3O5/c1-7-11-25-29(22(6)35)20(4)34(18-28(37)39-19(2)3)21(5)30(25)31(38)33-26(16-23-12-9-8-10-13-23)27(36)17-32-24-14-15-24/h8-10,12-13,19,24-27,32,36H,7,11,14-18H2,1-6H3,(H,33,38)/t25?,26-,27+/m0/s1
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| InChIKey |
LAQORKPJHRSUQQ-GDRMZMBQSA-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