General Information of the Compound
| Compound ID |
CP0469057
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| Compound Name |
(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C30H29FN6O
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| Molecular Weight |
508.601
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| Canonical SMILES |
Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccc2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C30H29FN6O/c31-24-11-6-10-23(20-24)27-28-26(21-25-12-4-5-15-37(25)28)29(34-33-27)32-13-7-14-35-16-18-36(19-17-35)30(38)22-8-2-1-3-9-22/h1-6,8-12,15,20-21H,7,13-14,16-19H2,(H,32,34)
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| InChIKey |
XPGPALDGXQWXEU-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D