General Information of the Compound
| Compound ID |
CP0468508
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| Compound Name |
US9085584, 101
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| Structure |
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| Formula |
C22H22FN5O
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| Molecular Weight |
391.45
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| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1F)C(C)(C)CO)C1CC1
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| InChI |
InChI=1S/C22H22FN5O/c1-12-19-26-27-20(15-10-14(6-7-16(15)23)22(2,3)11-29)28(19)21-18(24-12)9-8-17(25-21)13-4-5-13/h6-10,13,29H,4-5,11H2,1-3H3
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| InChIKey |
IPXHUMFCEAPREC-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase