General Information of the Compound
| Compound ID |
CP0062305
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| Compound Name |
CHEMBL374487
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| Formula |
C21H30Cl2N4O2
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| Molecular Weight |
441.403
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| Canonical SMILES |
CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
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| InChI |
InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
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| InChIKey |
GFVRTRFRYFWAIJ-OTVXOJSOSA-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