General Information of the Compound
| Compound ID |
CP0487481
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| Compound Name |
CHEMBL4855254
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| Formula |
C27H31N3O5
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| Molecular Weight |
477.561
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| Canonical SMILES |
CCCCc1nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C27H31N3O5/c1-4-5-14-22-28-25(31)23(26(32)29-16-15-19(17-29)18-10-7-6-8-11-18)27(33)30(22)24-20(34-2)12-9-13-21(24)35-3/h6-13,19,33H,4-5,14-17H2,1-3H3/t19-/m0/s1
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| InChIKey |
KLXPBZJTSAPLSN-IBGZPJMESA-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
Protein ID: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor