General Information of the Compound
| Compound ID |
CP0483664
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| Compound Name |
(2S)-2-[[4-[3-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]phenyl]methylamino]propanamide
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| Formula |
C32H38ClN5O2
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| Molecular Weight |
560.142
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O
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| InChI |
InChI=1S/C32H38ClN5O2/c1-24(32(34)39)35-22-25-9-11-28(12-10-25)40-20-4-14-36-16-18-37(19-17-36)30-7-3-8-31-29(30)13-15-38(31)23-26-5-2-6-27(33)21-26/h2-3,5-13,15,21,24,35H,4,14,16-20,22-23H2,1H3,(H2,34,39)/t24-/m0/s1
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| InChIKey |
NWBOHNYKYIXZRH-DEOSSOPVSA-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