General Information of the Compound
| Compound ID |
CP0451120
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| Compound Name |
[2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3H-benzimidazol-5-yl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C30H29N5O4S
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| Molecular Weight |
555.66
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1
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| InChI |
InChI=1S/C30H29N5O4S/c1-34(2)23-8-6-21(7-9-23)30(36)35-16-13-20(14-17-35)29-32-26-11-10-24(18-27(26)33-29)39-40(37,38)28-5-3-4-22-19-31-15-12-25(22)28/h3-12,15,18-20H,13-14,16-17H2,1-2H3,(H,32,33)
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| InChIKey |
JHOHOXYPNFKORV-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