General Information of the Compound
| Compound ID |
CP0525837
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-propylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H44N4O4
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| Molecular Weight |
524.706
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| Canonical SMILES |
CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C30H44N4O4/c1-4-18-34-25(29-26(37-2)14-9-15-27(29)38-3)20-24(33-34)30(36)32-23(17-16-21-10-6-5-7-11-21)19-28(35)31-22-12-8-13-22/h9,14-15,20-23H,4-8,10-13,16-19H2,1-3H3,(H,31,35)(H,32,36)/t23-/m0/s1
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| InChIKey |
RYNFPGCGHBLDNG-QHCPKHFHSA-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
Protein ID: PT05078, Apelin receptor
Protein ID: PT01197, Type-1 angiotensin II receptor