General Information of the Compound
| Compound ID |
CP0270340
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| Compound Name |
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C28H35ClN6O2S
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| Molecular Weight |
555.148
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C28H35ClN6O2S/c1-19-15-25(29)32-21(3)26(19)27(36)31-11-6-20(2)34-12-7-24(8-13-34)35(17-22-9-14-38-18-22)28(37)33-23-5-4-10-30-16-23/h4-5,9-10,14-16,18,20,24H,6-8,11-13,17H2,1-3H3,(H,31,36)(H,33,37)/t20-/m1/s1
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| InChIKey |
BNNGWNXPMYMWRI-HXUWFJFHSA-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