General Information of the Compound
| Compound ID |
CP0570388
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| Compound Name |
(1R,8R)-9-(3,5-dichlorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
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| Structure |
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| Formula |
C22H25Cl2N3O2S
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| Molecular Weight |
466.434
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2c1
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| InChI |
InChI=1S/C22H25Cl2N3O2S/c1-25-6-8-26(9-7-25)18-2-3-20-15-4-5-27(22(10-15)21(20)14-18)30(28,29)19-12-16(23)11-17(24)13-19/h2-3,11-15,22H,4-10H2,1H3/t15-,22-/m1/s1
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| InChIKey |
JFHPNLALJKIFQH-IVZQSRNASA-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