General Information of the Compound
| Compound ID |
CP0466079
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| Compound Name |
(2S)-2-[[4-[6-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]hexoxy]phenyl]methylamino]propanamide
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| Formula |
C35H44ClN5O2
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| Molecular Weight |
602.223
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O
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| InChI |
InChI=1S/C35H44ClN5O2/c1-27(35(37)42)38-25-28-12-14-31(15-13-28)43-23-5-3-2-4-17-39-19-21-40(22-20-39)33-10-7-11-34-32(33)16-18-41(34)26-29-8-6-9-30(36)24-29/h6-16,18,24,27,38H,2-5,17,19-23,25-26H2,1H3,(H2,37,42)/t27-/m0/s1
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| InChIKey |
UUCSSYKNRCGJHQ-MHZLTWQESA-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