General Information of the Compound
| Compound ID |
CP0969643
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| Compound Name |
US8614213, 19.114
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| Formula |
C19H21Cl2F3N4O
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| Molecular Weight |
449.304
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| Canonical SMILES |
Cc1n[nH]c(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1Cl
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| InChI |
InChI=1S/C19H21Cl2F3N4O/c1-10-16(21)17(28-27-10)25-9-11-2-5-13(6-3-11)26-18(29)14-8-12(19(22,23)24)4-7-15(14)20/h4,7-8,11,13H,2-3,5-6,9H2,1H3,(H,26,29)(H2,25,27,28)/t11-,13-
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| InChIKey |
ODOOLGUWNGGHCV-AULYBMBSSA-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