General Information of the Compound
| Compound ID |
CP0527353
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| Compound Name |
2-[2-(7-methyl-1H-indazol-5-yl)-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]oxyethyl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C30H30N6O5
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| Molecular Weight |
554.607
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(O)=O)cc2cn[nH]c12
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| InChI |
InChI=1S/C30H30N6O5/c1-18-12-19(13-22-16-32-34-27(18)22)14-26(25-15-20(28(37)38)6-9-31-25)41-30(40)35-10-7-23(8-11-35)36-17-21-4-2-3-5-24(21)33-29(36)39/h2-6,9,12-13,15-16,23,26H,7-8,10-11,14,17H2,1H3,(H,32,34)(H,33,39)(H,37,38)
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| InChIKey |
KDCYNZWBCZEYFR-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