General Information of the Compound
| Compound ID |
CP0525063
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| Compound Name |
[1-[4-(dimethylcarbamoyl)pyridin-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 |
C32H35N7O4
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| Molecular Weight |
581.677
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| Canonical SMILES |
CN(C)C(=O)c1ccnc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C32H35N7O4/c1-20-14-21(15-24-18-34-36-29(20)24)16-28(27-17-22(8-11-33-27)30(40)37(2)3)43-32(42)38-12-9-25(10-13-38)39-19-23-6-4-5-7-26(23)35-31(39)41/h4-8,11,14-15,17-18,25,28H,9-10,12-13,16,19H2,1-3H3,(H,34,36)(H,35,41)
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| InChIKey |
VUDURQVKUZTPAQ-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