General Information of the Compound
| Compound ID |
CP0127187
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[2-(1-propanoylpiperidin-4-yl)ethyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C24H37ClN4O4
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| Molecular Weight |
481.037
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| Canonical SMILES |
CCC(=O)N1CCC(CCN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
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| InChI |
InChI=1S/C24H37ClN4O4/c1-4-23(30)29-11-6-16(7-12-29)5-9-28-10-8-20(22(15-28)33-3)27-24(31)17-13-18(25)19(26)14-21(17)32-2/h13-14,16,20,22H,4-12,15,26H2,1-3H3,(H,27,31)/t20-,22+/m0/s1
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| InChIKey |
UCCXXACAXNDKGL-RBBKRZOGSA-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