General Information of the Compound
| Compound ID |
CP0552175
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| Compound Name |
CHEMBL4756720
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| Formula |
C21H25N7O2
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| Molecular Weight |
407.478
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C
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| InChI |
InChI=1S/C21H25N7O2/c1-28-15-3-4-16(28)6-13(5-15)9-24-18-7-19(26-11-17(18)21(29)30-2)27-20-12-23-14(8-22)10-25-20/h7,10-13,15-16H,3-6,9H2,1-2H3,(H2,24,25,26,27)/t13-,15+,16-
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| InChIKey |
LCQNQQKHTBVCCY-RBVVOMGSSA-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