General Information of the Compound
| Compound ID |
CP0474951
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| Compound Name |
US9428500, 58
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| Structure |
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| Formula |
C34H37N5
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| Molecular Weight |
515.705
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
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| InChI |
InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
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| InChIKey |
QPRYFBLLSBIUNB-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