General Information of the Compound
| Compound ID |
CP0964024
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| Compound Name |
12-Piperidin-1-yl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C20H19N3O2S
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| Molecular Weight |
365.458
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(N3CCCCC3)c3cccnc23)-c2ccccc21
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| InChI |
InChI=1S/C20H19N3O2S/c24-26(25)18-9-3-2-7-14(18)16-13-17(23-11-4-1-5-12-23)15-8-6-10-21-19(15)20(16)22-26/h2-3,6-10,13,22H,1,4-5,11-12H2
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| InChIKey |
VIMMCWGMVSDXGJ-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