General Information of the Compound
| Compound ID |
CP0461778
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| Compound Name |
3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C30H31Cl2N3O3
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| Molecular Weight |
552.502
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CCO)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C30H31Cl2N3O3/c1-38-28-5-3-2-4-27(28)33-14-16-34(17-15-33)29(37)13-11-24-25-20-23(32)10-12-26(25)35(18-19-36)30(24)21-6-8-22(31)9-7-21/h2-10,12,20,36H,11,13-19H2,1H3
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| InChIKey |
GGQKWWASEAXXOF-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