General Information of the Compound
| Compound ID |
CP0005477
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| Compound Name |
CHEMBL4210474
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| Formula |
C22H31N7
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| Molecular Weight |
393.539
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| Canonical SMILES |
CC(C)CCn1cnc2c(Nc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C22H31N7/c1-15(2)12-13-29-14-24-19-20(25-17-6-4-3-5-7-17)27-22(28-21(19)29)26-18-10-8-16(23)9-11-18/h3-7,14-16,18H,8-13,23H2,1-2H3,(H2,25,26,27,28)/t16-,18-
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| InChIKey |
WSJUVPWAZCBRTD-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