General Information of the Compound
| Compound ID |
CP0969792
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| Compound Name |
US8614213, 11
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| Formula |
C25H28Cl2N4O
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| Molecular Weight |
471.432
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| Canonical SMILES |
CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)CC1
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| InChI |
InChI=1S/C25H28Cl2N4O/c1-31(16-21-14-24(30-29-21)18-5-3-2-4-6-18)15-17-7-10-20(11-8-17)28-25(32)22-13-19(26)9-12-23(22)27/h2-6,9,12-14,17,20H,7-8,10-11,15-16H2,1H3,(H,28,32)(H,29,30)/t17-,20-
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| InChIKey |
YPRYLHXVAFRJQF-IRJFHVNHSA-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