General Information of the Compound
| Compound ID |
CP0567652
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| Compound Name |
US9434725, 228
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| Structure |
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| Formula |
C21H23N9
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| Molecular Weight |
401.478
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cnc(C)c(n1)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C21H23N9/c1-13-7-23-10-18(27-13)17-6-19-15(8-25-17)9-26-30(19)20-11-24-14(2)21(28-20)29-5-3-4-16(22)12-29/h6-11,16H,3-5,12,22H2,1-2H3/t16-/m0/s1
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| InChIKey |
PUJNJBCBFYLKKR-INIZCTEOSA-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