General Information of the Compound
| Compound ID |
CP0562727
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| Compound Name |
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-pyrimidin-4-ylpropanoate
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
CCOC(=O)C(Cc1ccncn1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C22H26N4O3/c1-2-29-21(27)19(12-16-9-10-23-13-24-16)25-22(28)26-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h9-11,13,19H,2-8,12H2,1H3,(H2,25,26,28)
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| InChIKey |
ZGTFONAVPJHVEM-UHFFFAOYSA-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