General Information of the Compound
| Compound ID |
CP0571717
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| Compound Name |
CHEMBL4064168
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| Formula |
C18H29N5
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| Molecular Weight |
315.465
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(c12)C(C)(C)C
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| InChI |
InChI=1S/C18H29N5/c1-18(2,3)14-10-19-16-15(14)17(21-11-20-16)22-12-6-8-13(9-7-12)23(4)5/h10-13H,6-9H2,1-5H3,(H2,19,20,21,22)/t12-,13-
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| InChIKey |
HCBANTSERUTQBP-JOCQHMNTSA-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