General Information of the Compound
| Compound ID |
CP0012350
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| Compound Name |
CHEMBL4203120
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| Formula |
C27H36ClN7
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| Molecular Weight |
494.087
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C27H36ClN7/c1-18(2)6-4-7-19(3)14-15-35-17-30-24-25(31-23-9-5-8-20(28)16-23)33-27(34-26(24)35)32-22-12-10-21(29)11-13-22/h5-6,8-9,14,16-17,21-22H,4,7,10-13,15,29H2,1-3H3,(H2,31,32,33,34)/b19-14+/t21-,22-
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| InChIKey |
DUXJURNTMMHJSM-BBDMXXJHSA-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