General Information of the Compound
| Compound ID |
CP0460665
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| Compound Name |
(4-(1H-indol-6-yl)piperazin-1-yl)(5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)methanone
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| Structure |
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| Formula |
C31H29N5O2
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| Molecular Weight |
503.606
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2cc[nH]c2c1
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| InChI |
InChI=1S/C31H29N5O2/c1-21-3-5-24(6-4-21)29-27(22-8-11-26(38-2)12-9-22)20-33-30(34-29)31(37)36-17-15-35(16-18-36)25-10-7-23-13-14-32-28(23)19-25/h3-14,19-20,32H,15-18H2,1-2H3
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| InChIKey |
WSSGHIDBYUEYFZ-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