General Information of the Compound
| Compound ID |
CP0473089
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| Compound Name |
CHEMBL4644916
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| Formula |
C28H35Cl2N5O2
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| Molecular Weight |
544.527
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| Canonical SMILES |
CCCCNC(=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/C28H35Cl2N5O2/c1-4-5-12-31-28(37)20-15-32-24-11-10-23(18-13-21(29)27(36)22(30)14-18)34-26(24)25(20)33-19-8-6-17(7-9-19)16-35(2)3/h10-11,13-15,17,19,36H,4-9,12,16H2,1-3H3,(H,31,37)(H,32,33)/t17-,19-
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| InChIKey |
GQQAKEHCSMJAKS-UAPYVXQJSA-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