General Information of the Compound
| Compound ID |
CP0563123
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| Compound Name |
CHEMBL2375970
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| Formula |
C19H24N6O3
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| Molecular Weight |
384.44
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| Canonical SMILES |
Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C19H24N6O3/c1-11-15-7-16(12-8-21-24(2)9-12)18(27)25(17(15)23-19(20)22-11)13-3-5-14(6-4-13)28-10-26/h7-9,13-14,26H,3-6,10H2,1-2H3,(H2,20,22,23)/t13-,14+
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| InChIKey |
HFFRBNFVPWVIBS-OKILXGFUSA-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