General Information of the Compound
| Compound ID |
CP0578380
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| Compound Name |
CHEMBL5196823
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| Formula |
C28H39ClN6O3
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| Molecular Weight |
543.112
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| Canonical SMILES |
C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C28H39ClN6O3/c1-28(37)8-4-20(5-9-28)32-27(36)25-26(30)31-17-24(33-25)22-3-2-19(16-23(22)29)18-34-10-6-21(7-11-34)35-12-14-38-15-13-35/h2-3,16-17,20-21,37H,4-15,18H2,1H3,(H2,30,31)(H,32,36)/t20-,28-
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| InChIKey |
MIAFBSYIBSNIRN-ANXHRGMGSA-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