General Information of the Compound
| Compound ID |
CP0579122
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| Compound Name |
CHEMBL5186598
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| Formula |
C26H31ClN6O3
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| Molecular Weight |
511.026
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| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(cn4)C(O)C(=O)NC4COC4)CC3)nc2c1Cl
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| InChI |
InChI=1S/C26H31ClN6O3/c1-15-2-5-17-6-9-21(33-23(17)22(15)27)31-19-7-3-16(4-8-19)10-28-26-29-11-18(12-30-26)24(34)25(35)32-20-13-36-14-20/h2,5-6,9,11-12,16,19-20,24,34H,3-4,7-8,10,13-14H2,1H3,(H,31,33)(H,32,35)(H,28,29,30)/t16-,19-,24?
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| InChIKey |
KOARQGOVIZFIQY-YHMAVIRVSA-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