General Information of the Compound
| Compound ID |
CP0517491
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| Compound Name |
[2-[7-methyl-3-(pyrrolidin-1-ylmethyl)-2H-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 |
C34H39N7O3
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| Molecular Weight |
593.732
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(CN3CCCC3)n[nH]c12
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| InChI |
InChI=1S/C34H39N7O3/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-6-7-15-39)20-31(29-10-4-5-13-35-29)44-34(43)40-16-11-26(12-17-40)41-21-25-8-2-3-9-28(25)36-33(41)42/h2-5,8-10,13,18-19,26,31H,6-7,11-12,14-17,20-22H2,1H3,(H,36,42)(H,37,38)
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| InChIKey |
QHKIPJGWHPLRLD-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