General Information of the Compound
| Compound ID |
CP0539071
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| Compound Name |
2,7-dichloro-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
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| Structure |
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| Formula |
C27H25Cl2N3O3
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| Molecular Weight |
510.421
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| Canonical SMILES |
Clc1ccc2Oc3ccc(Cl)cc3C(C(=O)NC3CCN(CC3)C(=O)CCc3cccnc3)c2c1
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| InChI |
InChI=1S/C27H25Cl2N3O3/c28-18-4-6-23-21(14-18)26(22-15-19(29)5-7-24(22)35-23)27(34)31-20-9-12-32(13-10-20)25(33)8-3-17-2-1-11-30-16-17/h1-2,4-7,11,14-16,20,26H,3,8-10,12-13H2,(H,31,34)
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| InChIKey |
LSPGRTPRIJOMNA-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