General Information of the Compound
| Compound ID |
CP0014318
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| Compound Name |
US10717746, Example 27
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| Formula |
C18H21ClN4O2
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| Molecular Weight |
360.845
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| Canonical SMILES |
CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl
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| InChI |
InChI=1S/C18H21ClN4O2/c1-18(2)6-15-13(7-21-23(15)9-18)12-5-16(20-8-14(12)19)22-17(25)10-3-11(24)4-10/h5,7-8,10-11,24H,3-4,6,9H2,1-2H3,(H,20,22,25)/t10-,11+
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| InChIKey |
BJVQHPTYDFVVJV-PHIMTYICSA-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