General Information of the Compound
| Compound ID |
CP0479883
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| Compound Name |
US9428500, 28
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| Structure |
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| Formula |
C31H30N4
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| Molecular Weight |
458.609
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
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| InChI |
InChI=1S/C31H30N4/c1-22(20-23-6-4-3-5-7-23)27-14-15-32-31-30(27)28-21-25(10-13-29(28)33-31)24-8-11-26(12-9-24)35-18-16-34(2)17-19-35/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)/b22-20+
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| InChIKey |
PGVCZIXLVQIEAZ-LSDHQDQOSA-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