General Information of the Compound
| Compound ID |
CP0470542
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| Compound Name |
CHEMBL4073764
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| Formula |
C12H17N5O
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| Molecular Weight |
247.302
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| Canonical SMILES |
Nc1nc(N[C@H]2CC[C@H](O)CC2)c2cc[nH]c2n1
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| InChI |
InChI=1S/C12H17N5O/c13-12-16-10-9(5-6-14-10)11(17-12)15-7-1-3-8(18)4-2-7/h5-8,18H,1-4H2,(H4,13,14,15,16,17)/t7-,8-
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| InChIKey |
DWBHHTHUCSJKQZ-ZKCHVHJHSA-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