General Information of the Compound
| Compound ID |
CP0556146
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| Compound Name |
CHEMBL4099061
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| Formula |
C19H28N4
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| Molecular Weight |
312.461
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| Canonical SMILES |
CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1
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| InChI |
InChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)/t15-,16-
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| InChIKey |
NVCNSCNNTAXPPA-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