General Information of the Compound
| Compound ID |
CP0899515
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| Compound Name |
3-(Naphthalen-1-ylsulfonyl)-N-(2-piperidin-1-ylethyl)-1Hindazole-5-carboxamide HCl
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| Structure |
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| Formula |
C25H27ClN4O3S
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| Molecular Weight |
499.036
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| Canonical SMILES |
Cl.O=C(NCCN1CCCCC1)c1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1
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| InChI |
InChI=1S/C25H26N4O3S.ClH/c30-24(26-13-16-29-14-4-1-5-15-29)19-11-12-22-21(17-19)25(28-27-22)33(31,32)23-10-6-8-18-7-2-3-9-20(18)23;/h2-3,6-12,17H,1,4-5,13-16H2,(H,26,30)(H,27,28);1H
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| InChIKey |
QGCUNYUKTCPCTP-UHFFFAOYSA-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