General Information of the Compound
| Compound ID |
CP0542092
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| Compound Name |
CHEMBL4636396
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| Formula |
C27H33Cl2N5O2
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| Molecular Weight |
530.5
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| Canonical SMILES |
CCCNC(=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/C27H33Cl2N5O2/c1-4-11-30-27(36)19-14-31-23-10-9-22(17-12-20(28)26(35)21(29)13-17)33-25(23)24(19)32-18-7-5-16(6-8-18)15-34(2)3/h9-10,12-14,16,18,35H,4-8,11,15H2,1-3H3,(H,30,36)(H,31,32)/t16-,18-
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| InChIKey |
KRJXRBOAAWTTLQ-SAABIXHNSA-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