General Information of the Compound
| Compound ID |
CP0533397
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| Compound Name |
3-[[7-[5-chloro-3-methyl-2-(piperidin-3-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
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| Structure |
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| Formula |
C28H30ClN3O2S
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| Molecular Weight |
508.087
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| Canonical SMILES |
Cc1cc(Cl)cc(c1CC1CCCNC1)-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12
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| InChI |
InChI=1S/C28H30ClN3O2S/c1-15-9-17(29)11-21(20(15)10-16-5-4-7-30-13-16)19-6-8-31-22-12-18(35-25(19)22)14-32-26(33)23-24(27(32)34)28(23,2)3/h6,8-9,11-12,16,23-24,30H,4-5,7,10,13-14H2,1-3H3
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| InChIKey |
XXQHINVMIVHNET-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