General Information of the Compound
| Compound ID |
CP0224529
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| Compound Name |
2-[[(3S)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@H](NC(C)=O)c4c3)nc12
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| InChI |
InChI=1S/C21H23N5O3/c1-11(2)24-21(28)16-9-22-20-19(16)26-18(10-23-20)29-14-6-4-13-5-7-17(15(13)8-14)25-12(3)27/h4,6,8-11,17H,5,7H2,1-3H3,(H,22,23)(H,24,28)(H,25,27)/t17-/m0/s1
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| InChIKey |
WISJHPKKVVBBCE-KRWDZBQOSA-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