General Information of the Compound
| Compound ID |
CP0490067
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| Compound Name |
US9333195, 74
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| Structure |
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| Formula |
C24H29N2O3S2+
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| Molecular Weight |
457.641
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C24H29N2O3S2/c27-23(24(28,21-6-3-16-30-21)22-7-4-17-31-22)29-20-18-26(14-8-19(20)9-15-26)13-5-12-25-10-1-2-11-25/h1-4,6-7,10-11,16-17,19-20,28H,5,8-9,12-15,18H2/q+1/t19?,20-,26?/m0/s1
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| InChIKey |
CTHSROQQKRDVOW-VJLZTBLDSA-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