General Information of the Compound
| Compound ID |
CP0525124
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| Compound Name |
US8835444, 2.1
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| Formula |
C19H24Cl2N4O
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| Molecular Weight |
395.334
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| Canonical SMILES |
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl
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| InChI |
InChI=1S/C19H24Cl2N4O/c1-11-17(8-15(20)9-22-11)19(26)23-16-6-4-14(5-7-16)10-25-13(3)18(21)12(2)24-25/h8-9,14,16H,4-7,10H2,1-3H3,(H,23,26)/t14-,16-
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| InChIKey |
JRBVOUREXIRPPY-KOMQPUFPSA-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