General Information of the Compound
| Compound ID |
CP0449141
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| Compound Name |
3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-11-(1H-tetrazol-5-yl)-dibenzo[a,d]cyclohepten-5-one
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| Structure |
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| Formula |
C28H25N7O
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| Molecular Weight |
475.556
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| Canonical SMILES |
CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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| InChIKey |
JHYQSQMDRKGUTN-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