General Information of the Compound
| Compound ID |
CP0506178
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| Compound Name |
5-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-4-ethyl-2,6-dimethyl-1-methylsulfonyl-3-N-(1-phenylethyl)-4H-pyridine-3,5-dicarboxamide
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| Structure |
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| Formula |
C33H44N4O5S
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| Molecular Weight |
608.805
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| Canonical SMILES |
CCC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(C(C)=C1C(=O)NC(C)c1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H44N4O5S/c1-6-27-30(32(39)35-21(2)25-15-11-8-12-16-25)22(3)37(43(5,41)42)23(4)31(27)33(40)36-28(19-24-13-9-7-10-14-24)29(38)20-34-26-17-18-26/h7-16,21,26-29,34,38H,6,17-20H2,1-5H3,(H,35,39)(H,36,40)/t21?,27?,28-,29+/m0/s1
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| InChIKey |
QHBMSDGVMGLBIY-HCVBKAHASA-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