General Information of the Compound
| Compound ID |
CP0497609
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| Compound Name |
US9346786, 111
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| Structure |
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| Formula |
C31H33ClFN5O4
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| Molecular Weight |
594.087
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(N)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H33ClFN5O4/c1-2-38(31(41)42-25-10-8-24(33)9-11-25)27-19-37(18-26(27)20-3-6-23(32)7-4-20)30(40)21-13-15-36(16-14-21)28-12-5-22(17-35-28)29(34)39/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3,(H2,34,39)/t26-,27+/m0/s1
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| InChIKey |
VGRYQDMTUBNWDI-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