General Information of the Compound
| Compound ID |
CP0445088
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| Compound Name |
Dihydropyrrolopyrazole, 22
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| Structure |
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| Formula |
C29H25N5O2
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| Molecular Weight |
475.552
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
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| InChI |
InChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3
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| InChIKey |
ILBLPSAZJBRIJQ-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