General Information of the Compound
| Compound ID |
CP0399225
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| Compound Name |
propan-2-yl 2-[3-[[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-5-(1-phenylethylcarbamoyl)-4-propyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C36H48N4O5
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| Molecular Weight |
616.803
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| Canonical SMILES |
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1
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| InChI |
InChI=1S/C36H48N4O5/c1-5-12-29-30(35(43)38-25(4)27-15-10-7-11-16-27)21-40(23-34(42)45-24(2)3)22-31(29)36(44)39-32(19-26-13-8-6-9-14-26)33(41)20-37-28-17-18-28/h6-11,13-16,21-22,24-25,28-29,32-33,37,41H,5,12,17-20,23H2,1-4H3,(H,38,43)(H,39,44)/t25?,29?,32-,33+/m0/s1
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| InChIKey |
KKDBVMXUSPGZQN-ZFWQNNPVSA-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