General Information of the Compound
| Compound ID |
CP0527352
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C29H30N6O3
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| Molecular Weight |
510.598
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)
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| InChIKey |
XCCHLDYKKZLVEC-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