General Information of the Compound
| Compound ID |
CP0524274
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| Compound Name |
[1-(4-cyanopyridin-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C30H29N7O3
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| Molecular Weight |
535.608
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C#N)cc2cn[nH]c12
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| InChI |
InChI=1S/C30H29N7O3/c1-19-12-21(13-23-17-33-35-28(19)23)15-27(26-14-20(16-31)6-9-32-26)40-30(39)36-10-7-24(8-11-36)37-18-22-4-2-3-5-25(22)34-29(37)38/h2-6,9,12-14,17,24,27H,7-8,10-11,15,18H2,1H3,(H,33,35)(H,34,38)
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| InChIKey |
AJIKDRDAPAKMGX-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