General Information of the Compound
| Compound ID |
CP0552166
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| Compound Name |
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-pyridin-4-ylpropanoate
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
COC(=O)[C@@H](Cc1ccncc1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C22H25N3O3/c1-28-21(26)19(12-14-8-10-23-11-9-14)24-22(27)25-20-17-6-2-4-15(17)13-16-5-3-7-18(16)20/h8-11,13,19H,2-7,12H2,1H3,(H2,24,25,27)/t19-/m1/s1
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| InChIKey |
MZTJVRQNYZSTAD-LJQANCHMSA-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