General Information of the Compound
| Compound ID |
CP0480236
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| Compound Name |
2-chloro-N-[(3S,4S)-4-(3,5-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
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| Formula |
C22H22Cl2F2N4O
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| Molecular Weight |
467.347
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| Canonical SMILES |
Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(Cl)c1
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| InChI |
InChI=1S/C22H21ClF2N4O.ClH/c1-29-21(5-7-27-29)13-2-3-18(19(23)10-13)22(30)28-20-12-26-6-4-17(20)14-8-15(24)11-16(25)9-14;/h2-3,5,7-11,17,20,26H,4,6,12H2,1H3,(H,28,30);1H/t17-,20+;/m0./s1
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| InChIKey |
ZVUXEONBXLDDER-YFUYRHFLSA-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