General Information of the Compound
| Compound ID |
CP0512516
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| Compound Name |
1-[(3S)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-4-yl]-3-phenylpiperazin-1-yl]ethanone
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| Structure |
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| Formula |
C32H35N7O3
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| Molecular Weight |
565.678
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| Canonical SMILES |
CC(=O)N1CCN([C@H](C1)c1ccccc1)c1nc(nc2ccc(cc12)-c1c(C)noc1C)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C32H35N7O3/c1-20-29(21(2)42-36-20)24-11-12-27-26(15-24)31(35-30(34-27)25-16-33-38(17-25)19-32(4,5)41)39-14-13-37(22(3)40)18-28(39)23-9-7-6-8-10-23/h6-12,15-17,28,41H,13-14,18-19H2,1-5H3/t28-/m1/s1
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| InChIKey |
UGPHEDWPSNQBFS-MUUNZHRXSA-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