General Information of the Compound
| Compound ID |
CP0438413
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| Compound Name |
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
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| Structure |
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| Formula |
C23H23N5O
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| Molecular Weight |
385.471
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| Canonical SMILES |
O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc2[nH]c3CCCCc3c2c1
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| InChI |
InChI=1S/C23H23N5O/c29-23(18-9-10-22-20(11-18)19-3-1-2-4-21(19)27-22)25-12-16-5-7-17(8-6-16)13-28-15-24-14-26-28/h5-11,14-15,27H,1-4,12-13H2,(H,25,29)
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| InChIKey |
VDTMIFSSEGBKSM-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase