General Information of the Compound
| Compound ID |
CP0451726
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| Compound Name |
(2S)-2-[[4-[4-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]butoxy]phenyl]methylamino]propanamide
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| Formula |
C33H40ClN5O2
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| Molecular Weight |
574.169
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O
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| InChI |
InChI=1S/C33H40ClN5O2/c1-25(33(35)40)36-23-26-10-12-29(13-11-26)41-21-3-2-15-37-17-19-38(20-18-37)31-8-5-9-32-30(31)14-16-39(32)24-27-6-4-7-28(34)22-27/h4-14,16,22,25,36H,2-3,15,17-21,23-24H2,1H3,(H2,35,40)/t25-/m0/s1
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| InChIKey |
FYXSJSKGVQRAKU-VWLOTQADSA-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