General Information of the Compound
| Compound ID |
CP0573027
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| Compound Name |
[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
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| Structure |
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| Formula |
C27H29N5O4
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| Molecular Weight |
487.56
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3C(=O)N4CCCC4Nc3c2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N5O4/c1-27(2,3)21-15-23(32(30-21)18-8-5-4-6-9-18)29-24(33)16-36-26(35)17-11-12-19-20(14-17)28-22-10-7-13-31(22)25(19)34/h4-6,8-9,11-12,14-15,22,28H,7,10,13,16H2,1-3H3,(H,29,33)
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| InChIKey |
DSHDFXMPXMXYBZ-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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor