General Information of the Compound
| Compound ID |
CP0481489
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| Compound Name |
CHEMBL2313238
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| Formula |
C22H22ClN5O
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| Molecular Weight |
407.905
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| Canonical SMILES |
Cc1nc2ccc(N[C@H]3CC[C@H](O)CC3)cc2n2c(nnc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H22ClN5O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-12-15(8-11-19(20)24-13)25-14-6-9-16(29)10-7-14/h2-5,8,11-12,14,16,25,29H,6-7,9-10H2,1H3/t14-,16-
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| InChIKey |
KNIOZKBZHBPMPJ-KOMQPUFPSA-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase