General Information of the Compound
| Compound ID |
CP0389442
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| Compound Name |
CHEMBL4060699
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| Formula |
C18H21N5
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| Molecular Weight |
307.401
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| Canonical SMILES |
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC3)c2c1
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| InChI |
InChI=1S/C18H21N5/c19-11-13-2-7-17-16(10-13)18(21-12-20-17)22-14-3-5-15(6-4-14)23-8-1-9-23/h2,7,10,12,14-15H,1,3-6,8-9H2,(H,20,21,22)/t14-,15-
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| InChIKey |
NBRSGUHQFSLZAB-SHTZXODSSA-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