General Information of the Compound
| Compound ID |
CP0488005
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| Compound Name |
3-[[4-[3-methyl-1-[5-[4-(4-methylpiperazin-1-yl)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H39N5O3
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| Molecular Weight |
553.707
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C33H39N5O3/c1-23(2)20-31(25-4-6-26(7-5-25)33(41)34-15-14-32(39)40)38-30-13-10-27(21-28(30)22-35-38)24-8-11-29(12-9-24)37-18-16-36(3)17-19-37/h4-13,21-23,31H,14-20H2,1-3H3,(H,34,41)(H,39,40)
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| InChIKey |
CXBZJHBWNIPARM-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