General Information of the Compound
| Compound ID |
CP0465794
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| Compound Name |
US9428500, 30
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| Structure |
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| Formula |
C32H32N4
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| Molecular Weight |
472.636
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| Canonical SMILES |
CC\C=C(/c1ccccc1)c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H32N4/c1-3-7-27(24-8-5-4-6-9-24)28-16-17-33-32-31(28)29-22-25(12-15-30(29)34-32)23-10-13-26(14-11-23)36-20-18-35(2)19-21-36/h4-17,22H,3,18-21H2,1-2H3,(H,33,34)/b27-7+
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| InChIKey |
JVLJDNLPCBISRM-OAHLVZFQSA-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