General Information of the Compound
| Compound ID |
CP0557811
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| Compound Name |
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-pyrimidin-5-ylpropanoate
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COC(=O)[C@@H](Cc1cncnc1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C21H24N4O3/c1-28-20(26)18(8-13-10-22-12-23-11-13)24-21(27)25-19-16-6-2-4-14(16)9-15-5-3-7-17(15)19/h9-12,18H,2-8H2,1H3,(H2,24,25,27)/t18-/m1/s1
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| InChIKey |
HUSWHSZDQHCTAL-GOSISDBHSA-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