General Information of the Compound
| Compound ID |
CP0472184
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| Compound Name |
[4-[3-[(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentan-3-yl]phenyl] propanoate
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCC(=O)Oc1ccc(cc1)C(CC)(CC)NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1
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| InChI |
InChI=1S/C29H36N4O3/c1-6-25(34)36-22-16-14-21(15-17-22)29(7-2,8-3)32-27(35)23-19-30-33-26(23)31-24(18-28(33,4)5)20-12-10-9-11-13-20/h9-17,19,24,31H,6-8,18H2,1-5H3,(H,32,35)
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| InChIKey |
ZMCRAUNGYPVCPJ-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