General Information of the Compound
| Compound ID |
CP0474831
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| Compound Name |
US9428500, 3
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| Structure |
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| Formula |
C32H29F3N4
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| Molecular Weight |
526.606
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C32H29F3N4/c1-21(19-24-5-3-4-6-28(24)32(33,34)35)26-13-14-36-31-30(26)27-20-23(9-12-29(27)37-31)22-7-10-25(11-8-22)39-17-15-38(2)16-18-39/h3-14,19-20H,15-18H2,1-2H3,(H,36,37)/b21-19+
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| InChIKey |
HTDVWRWILSZWNP-XUTLUUPISA-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