General Information of the Compound
| Compound ID |
CP0520698
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| Compound Name |
US8940771, 122
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| Structure |
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| Formula |
C19H26N6O2S
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| Molecular Weight |
402.524
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| Canonical SMILES |
CCN(CC)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1
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| InChI |
InChI=1S/C19H26N6O2S/c1-4-24(5-2)15-11-13(7-9-21-15)14-12-22-17(28-14)23-18(27)25-10-6-8-19(25,3)16(20)26/h7,9,11-12H,4-6,8,10H2,1-3H3,(H2,20,26)(H,22,23,27)/t19-/m0/s1
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| InChIKey |
XJRICBRXVGAFGG-IBGZPJMESA-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