General Information of the Compound
| Compound ID |
CP0099891
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| Compound Name |
3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-6-yl]phenyl-4-methylhexahydro-1-pyrazinylmethanone
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| Structure |
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| Formula |
C25H29ClN4O2
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| Molecular Weight |
452.986
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
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| InChI |
InChI=1S/C25H29ClN4O2/c1-29-10-12-30(13-11-29)23(31)18-7-5-6-17(14-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)8-3-2-4-9-25/h5-7,14-16H,2-4,8-13H2,1H3,(H2,27,28,32)
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| InChIKey |
DSLSJOVOZDIHMA-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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A