General Information of the Compound
| Compound ID |
CP0065547
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| Compound Name |
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
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| Structure |
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| Formula |
C25H25N7O2
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| Molecular Weight |
455.522
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| Canonical SMILES |
Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1N
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| InChI |
InChI=1S/C25H25N7O2/c1-15-28-21-5-3-18(12-22(21)29-15)32-25(26)19(13-27-32)24(33)23-11-17-10-16(2-4-20(17)30-23)14-31-6-8-34-9-7-31/h2-5,10-13,30H,6-9,14,26H2,1H3,(H,28,29)
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| InChIKey |
WRABCNDMFRHWIR-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