General Information of the Compound
| Compound ID |
CP0565738
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| Compound Name |
US9428460, 32
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N
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| InChI |
InChI=1S/C22H22N4O3/c1-14-11-19(26-29-14)22(27)25-13-15-5-7-17(8-6-15)28-20-9-10-24-21-16(12-23)3-2-4-18(20)21/h2-4,9-11,15,17H,5-8,13H2,1H3,(H,25,27)/t15-,17-
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| InChIKey |
ZEPTVVCRIXZZHA-JCNLHEQBSA-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