General Information of the Compound
| Compound ID |
CP0580142
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| Compound Name |
cyclopropyl 5-[1-[(4-chlorobenzoyl)amino]cyclobutyl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)NC1(CCC1)c1ccc2N(CCc2n1)C(=O)OC1CC1
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| InChI |
InChI=1S/C22H22ClN3O3/c23-15-4-2-14(3-5-15)20(27)25-22(11-1-12-22)19-9-8-18-17(24-19)10-13-26(18)21(28)29-16-6-7-16/h2-5,8-9,16H,1,6-7,10-13H2,(H,25,27)
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| InChIKey |
ARMXVNONAUSRRZ-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