General Information of the Compound
| Compound ID |
CP0086377
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| Compound Name |
CHEMBL2392480
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| Formula |
C16H19N7
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| Molecular Weight |
309.377
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| Canonical SMILES |
N#CCCN[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C16H19N7/c17-7-1-8-18-11-2-4-12(5-3-11)23-15-13-6-9-19-16(13)20-10-14(15)21-22-23/h6,9-12,18H,1-5,8H2,(H,19,20)/t11-,12-
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| InChIKey |
HFCJAKGWADMYJC-HAQNSBGRSA-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