General Information of the Compound
| Compound ID |
CP0483336
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| Compound Name |
US9346786, 110
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| Structure |
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| Formula |
C30H31Cl2FN4O3
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| Molecular Weight |
585.507
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H31Cl2FN4O3/c1-2-37(30(39)40-25-10-8-24(33)9-11-25)27-19-36(18-26(27)20-3-5-22(31)6-4-20)29(38)21-13-15-35(16-14-21)28-12-7-23(32)17-34-28/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3/t26-,27+/m0/s1
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| InChIKey |
IWRMASBDPYFKIJ-RRPNLBNLSA-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