General Information of the Compound
| Compound ID |
CP0576087
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| Compound Name |
CHEMBL4576574
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| Formula |
C24H30N10
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| Molecular Weight |
458.574
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cnnc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C24H30N10/c25-16-5-7-18(8-6-16)30-24-31-22(21-23(32-24)34(13-26-21)20-3-1-2-4-20)29-17-9-11-19(12-10-17)33-14-27-28-15-33/h9-16,18,20H,1-8,25H2,(H2,29,30,31,32)/t16-,18-
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| InChIKey |
JGTDQVQJWYGXFE-SAABIXHNSA-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