General Information of the Compound
| Compound ID |
CP0344512
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| Compound Name |
CHEMBL1258910
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O
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| InChI |
InChI=1S/C21H26N6O3/c1-12-3-4-14(11-23-12)18-20(29)27(15-5-7-16(8-6-15)30-10-9-28)19-17(25-18)13(2)24-21(22)26-19/h3-4,11,15-16,28H,5-10H2,1-2H3,(H2,22,24,26)/t15-,16-
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| InChIKey |
FDYCDLMAMJYKQV-WKILWMFISA-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