General Information of the Compound
| Compound ID |
CP0515610
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| Compound Name |
1-(3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-5-chloro-1H-indazol-1-yl)-2-morpholinoethanone
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| Structure |
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| Formula |
C26H30ClN5O4
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| Molecular Weight |
512.01
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| Canonical SMILES |
Clc1ccc2n(nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)C(=O)CN1CCOCC1
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| InChI |
InChI=1S/C26H30ClN5O4/c27-19-2-3-22-21(14-19)26(29-32(22)25(33)16-31-9-11-34-12-10-31)28-20-5-7-30(8-6-20)15-18-1-4-23-24(13-18)36-17-35-23/h1-4,13-14,20H,5-12,15-17H2,(H,28,29)
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| InChIKey |
SYFRNAVGZFKJNN-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