General Information of the Compound
| Compound ID |
CP0530437
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| Compound Name |
US9434725, 117
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| Structure |
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| Formula |
C23H24ClN7
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| Molecular Weight |
433.947
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| Canonical SMILES |
CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1ccc(Cl)c(n1)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C23H24ClN7/c1-2-15-8-16(11-26-10-15)20-9-21-17(12-27-20)13-28-31(21)22-6-5-19(24)23(29-22)30-7-3-4-18(25)14-30/h5-6,8-13,18H,2-4,7,14,25H2,1H3/t18-/m0/s1
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| InChIKey |
QKQSCRNMPDQOQG-SFHVURJKSA-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