General Information of the Compound
| Compound ID |
CP0533276
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| Compound Name |
US11001561, Compound 119a
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| Structure |
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| Formula |
C24H24Cl2N4O
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| Molecular Weight |
455.389
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| Canonical SMILES |
Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1
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| InChI |
InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m1/s1
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| InChIKey |
PSVZVCXMHUGMIG-HSZRJFAPSA-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