General Information of the Compound
| Compound ID |
CP0127297
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| Compound Name |
4-[[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C24H38ClN5O4
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| Molecular Weight |
496.052
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| Canonical SMILES |
CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C24H38ClN5O4/c1-15(2)27-24(32)30-9-5-16(6-10-30)13-29-8-7-20(22(14-29)34-4)28-23(31)17-11-18(25)19(26)12-21(17)33-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,32)(H,28,31)/t20-,22+/m0/s1
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| InChIKey |
UMVIPSLAOJCGEP-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