General Information of the Compound
| Compound ID |
CP0490641
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| Compound Name |
(2S)-2-[[4-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentoxy]phenyl]methylamino]propanamide
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| Formula |
C33H41N5O4S
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| Molecular Weight |
603.789
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1)C(N)=O
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| InChI |
InChI=1S/C33H41N5O4S/c1-26(33(34)39)35-25-27-13-15-28(16-14-27)42-24-7-3-6-18-36-20-22-37(23-21-36)31-11-8-12-32-30(31)17-19-38(32)43(40,41)29-9-4-2-5-10-29/h2,4-5,8-17,19,26,35H,3,6-7,18,20-25H2,1H3,(H2,34,39)/t26-/m0/s1
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| InChIKey |
XCBABKSDAJRBGZ-SANMLTNESA-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