General Information of the Compound
| Compound ID |
CP0005478
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| Compound Name |
CHEMBL4209971
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| Formula |
C21H28ClN7
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| Molecular Weight |
413.957
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| Canonical SMILES |
CCCCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C21H28ClN7/c1-2-3-12-29-13-24-18-19(25-16-8-4-14(22)5-9-16)27-21(28-20(18)29)26-17-10-6-15(23)7-11-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,23H2,1H3,(H2,25,26,27,28)/t15-,17-
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| InChIKey |
UIIZAHJFDOZUIV-JCNLHEQBSA-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