General Information of the Compound
| Compound ID |
CP0439812
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| Compound Name |
(S)-N-(1-(3-methoxy-4-(piperidin-4-yloxy)phenethyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C25H31Cl2N3O3
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| Molecular Weight |
492.447
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| Canonical SMILES |
COc1cc(CCN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C25H31Cl2N3O3/c1-32-24-14-17(2-5-23(24)33-20-6-10-28-11-7-20)8-12-30-13-9-19(16-30)29-25(31)18-3-4-21(26)22(27)15-18/h2-5,14-15,19-20,28H,6-13,16H2,1H3,(H,29,31)/t19-/m0/s1
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| InChIKey |
RZFGICQKAHZQLJ-IBGZPJMESA-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