General Information of the Compound
| Compound ID |
CP0496299
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| Compound Name |
US11001561, Compound 74a
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| Structure |
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| Formula |
C25H26Cl2N4O
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| Molecular Weight |
469.416
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| Canonical SMILES |
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1
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| InChIKey |
MFHWVKLJXFEKJX-JOCHJYFZSA-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