General Information of the Compound
| Compound ID |
CP0475242
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| Compound Name |
CHEMBL4633261
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| Formula |
C29H37Cl2N5O2
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| Molecular Weight |
558.554
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| Canonical SMILES |
CCCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C29H37Cl2N5O2/c1-4-5-6-13-32-29(38)21-16-33-25-12-11-24(19-14-22(30)28(37)23(31)15-19)35-27(25)26(21)34-20-9-7-18(8-10-20)17-36(2)3/h11-12,14-16,18,20,37H,4-10,13,17H2,1-3H3,(H,32,38)(H,33,34)/t18-,20-
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| InChIKey |
BDIXSSLITTWUQI-KESTWPANSA-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