General Information of the Compound
| Compound ID |
CP0121272
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[hydroxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C23H32ClN5O3S
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| Molecular Weight |
494.061
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NO
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| InChI |
InChI=1S/C23H32ClN5O3S/c1-15-12-20(24)26-17(3)21(15)22(30)25-8-4-16(2)28-9-5-19(6-10-28)29(23(31)27-32)13-18-7-11-33-14-18/h7,11-12,14,16,19,32H,4-6,8-10,13H2,1-3H3,(H,25,30)(H,27,31)/t16-/m1/s1
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| InChIKey |
YKXXIIVYICOTPX-MRXNPFEDSA-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