General Information of the Compound
| Compound ID |
CP0920564
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| Compound Name |
US8614213, 19.91
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| Formula |
C25H25Cl2F3N4O
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| Molecular Weight |
525.402
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| Canonical SMILES |
Cc1[nH]nc(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H25Cl2F3N4O/c1-14-22(16-4-7-18(26)8-5-16)23(34-33-14)31-13-15-2-9-19(10-3-15)32-24(35)20-12-17(25(28,29)30)6-11-21(20)27/h4-8,11-12,15,19H,2-3,9-10,13H2,1H3,(H,32,35)(H2,31,33,34)/t15-,19-
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| InChIKey |
AHRLPOUDVJBLJR-RHDGDCLCSA-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