General Information of the Compound
| Compound ID |
CP0572456
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| Compound Name |
US9428460, 22
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H23N3O2/c25-15-17-5-9-19(10-6-17)24(28)27-16-18-7-11-20(12-8-18)29-23-13-14-26-22-4-2-1-3-21(22)23/h1-6,9-10,13-14,18,20H,7-8,11-12,16H2,(H,27,28)/t18-,20-
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| InChIKey |
FABHHTCZIHUKJB-KESTWPANSA-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