General Information of the Compound
| Compound ID |
CP0467278
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| Compound Name |
(R)-(4-(1H-indole-6-carbonyl)-2-methylpiperazin-1-yl)(3'-methoxybiphenyl-4-yl)methanone
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| Structure |
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2cc[nH]c2c1
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| InChI |
InChI=1S/C28H27N3O3/c1-19-18-30(27(32)24-11-8-21-12-13-29-26(21)17-24)14-15-31(19)28(33)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m1/s1
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| InChIKey |
JRDFTTJDSYWQPV-LJQANCHMSA-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