General Information of the Compound
| Compound ID |
CP0140011
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| Compound Name |
(5S)-5-amino-17-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,7,12,14,20-pentazatricyclo[11.5.2.016,19]icosa-13,15,17,19-tetraen-6-one
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| Structure |
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| Formula |
C27H38N8O
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| Molecular Weight |
490.656
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C27H38N8O/c1-33-13-15-34(16-14-33)18-20-6-8-21(9-7-20)23-19-35-12-4-5-24(28)26(36)29-10-2-3-11-30-27-31-17-22(23)25(35)32-27/h6-9,17,19,24H,2-5,10-16,18,28H2,1H3,(H,29,36)(H,30,31,32)/t24-/m0/s1
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| InChIKey |
UVBALELUPGCHKQ-DEOSSOPVSA-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