General Information of the Compound
| Compound ID |
CP0578021
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| Compound Name |
N-cyclopentyl-11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C17H19N3S
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| Molecular Weight |
297.427
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NC3CCCC3)nccc21
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| InChI |
InChI=1S/C17H19N3S/c1-10-9-11(2)19-17-14(10)13-7-8-18-16(15(13)21-17)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,20)
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| InChIKey |
QOFNSSKQSKJBEW-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