General Information of the Compound
| Compound ID |
CP0407538
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| Compound Name |
US8835444, 2.0
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| Formula |
C21H29ClN4O
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| Molecular Weight |
388.943
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| Canonical SMILES |
CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1
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| InChI |
InChI=1S/C21H29ClN4O/c1-4-17-11-19(5-2)26(25-17)13-15-6-8-18(9-7-15)24-21(27)20-10-16(22)12-23-14(20)3/h10-12,15,18H,4-9,13H2,1-3H3,(H,24,27)/t15-,18-
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| InChIKey |
YFGJKTCILASHFF-RZDIXWSQSA-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