General Information of the Compound
| Compound ID |
CP0536000
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| Compound Name |
US9428500, 59
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| Structure |
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| Formula |
C33H36N6
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| Molecular Weight |
516.693
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCN(Cc5ccccc5)CC4)c3c2c1
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| InChI |
InChI=1S/C33H36N6/c1-36-15-19-38(20-16-36)28-10-7-26(8-11-28)27-9-12-30-29(23-27)32-31(13-14-34-33(32)35-30)39-21-17-37(18-22-39)24-25-5-3-2-4-6-25/h2-14,23H,15-22,24H2,1H3,(H,34,35)
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| InChIKey |
UXRFIIWYYBNROF-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