General Information of the Compound
| Compound ID |
CP0704279
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| Compound Name |
2-(benzo[d]thiazol-2-yl)-4,5-dihydro-2H-benzo[e]indazol-1-ol
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| Formula |
C18H13N3OS
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| Molecular Weight |
319.389
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| Canonical SMILES |
Oc1c2c(nn1-c1nc3ccccc3s1)CCc1ccccc1-2
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| InChI |
InChI=1S/C18H13N3OS/c22-17-16-12-6-2-1-5-11(12)9-10-14(16)20-21(17)18-19-13-7-3-4-8-15(13)23-18/h1-8,22H,9-10H2
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| InChIKey |
ULLPFSLRPLXCBV-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