General Information of the Compound
| Compound ID |
CP0466078
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| Compound Name |
(2S)-2-[[4-[5-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]pentoxy]phenyl]methylamino]propanamide
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| Formula |
C34H42ClN5O2
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| Molecular Weight |
588.196
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O
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| InChI |
InChI=1S/C34H42ClN5O2/c1-26(34(36)41)37-24-27-11-13-30(14-12-27)42-22-4-2-3-16-38-18-20-39(21-19-38)32-9-6-10-33-31(32)15-17-40(33)25-28-7-5-8-29(35)23-28/h5-15,17,23,26,37H,2-4,16,18-22,24-25H2,1H3,(H2,36,41)/t26-/m0/s1
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| InChIKey |
OFATVJAEJSKMMU-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