General Information of the Compound
| Compound ID |
CP0534018
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| Compound Name |
US10189835, Compound 912
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| Structure |
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| Formula |
C19H23ClN6O3
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| Molecular Weight |
418.885
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| Canonical SMILES |
CN(OC1CN(C)C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23)
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| InChIKey |
KIMDVDXYBVMTDY-UHFFFAOYSA-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