General Information of the Compound
| Compound ID |
CP0533447
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5,7-diphenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C29H32N4O
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| Molecular Weight |
452.602
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| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2[C@H](C[C@H](Nc12)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H32N4O/c34-28(32-29-15-19-11-20(16-29)13-21(12-19)17-29)24-18-30-33-26(23-9-5-2-6-10-23)14-25(31-27(24)33)22-7-3-1-4-8-22/h1-10,18-21,25-26,31H,11-17H2,(H,32,34)/t19?,20?,21?,25-,26+,29?/m0/s1
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| InChIKey |
IRGDIBUVFDVVDM-WOSHWMTBSA-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