General Information of the Compound
| Compound ID |
CP0483673
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| Compound Name |
(2S)-2-[[4-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]phenyl]methylamino]propanamide
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| Formula |
C32H39N5O4S
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| Molecular Weight |
589.762
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1)C(N)=O
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| InChI |
InChI=1S/C32H39N5O4S/c1-25(32(33)38)34-24-26-12-14-27(15-13-26)41-23-6-5-17-35-19-21-36(22-20-35)30-10-7-11-31-29(30)16-18-37(31)42(39,40)28-8-3-2-4-9-28/h2-4,7-16,18,25,34H,5-6,17,19-24H2,1H3,(H2,33,38)/t25-/m0/s1
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| InChIKey |
SVELHUXCRMCBJR-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