General Information of the Compound
| Compound ID |
CP0237917
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2'-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 |
COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1
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| InChI |
InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)23-12-9-21-13-14-29-25(21)17-23)27(32)22-10-7-20(8-11-22)24-5-3-4-6-26(24)34-2/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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| InChIKey |
WGTCBXOFOSMWEQ-IBGZPJMESA-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