General Information of the Compound
| Compound ID |
CP0547444
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| Compound Name |
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-4-methylsulfonyl-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C31H35N7O4S
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| Molecular Weight |
601.733
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc2nc(nc(N3CCN(C[C@@H]3c3ccccc3)S(C)(=O)=O)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C31H35N7O4S/c1-20-28(21(2)42-35-20)23-11-12-26-25(15-23)30(34-29(33-26)24-16-32-36(17-24)19-31(3,4)39)38-14-13-37(43(5,40)41)18-27(38)22-9-7-6-8-10-22/h6-12,15-17,27,39H,13-14,18-19H2,1-5H3/t27-/m1/s1
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| InChIKey |
VHAGEDLCCPAUJD-HHHXNRCGSA-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