General Information of the Compound
| Compound ID |
CP0391213
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| Compound Name |
CHEMBL4648260
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| Formula |
C26H28Cl2N4O4
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| Molecular Weight |
531.44
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(=O)N(C)C)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C26H28Cl2N4O4/c1-4-36-26(35)17-13-29-21-10-9-20(15-11-18(27)24(33)19(28)12-15)31-23(21)22(17)30-16-7-5-14(6-8-16)25(34)32(2)3/h9-14,16,33H,4-8H2,1-3H3,(H,29,30)/t14-,16-
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| InChIKey |
SRKBDTMNOSQJFR-KOMQPUFPSA-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