General Information of the Compound
| Compound ID |
CP0140010
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| Compound Name |
(5S)-5-amino-19-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,7,14,16,22-pentazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-6-one
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| Structure |
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| Formula |
C29H42N8O
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| Molecular Weight |
518.71
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C29H42N8O/c1-35-15-17-36(18-16-35)20-22-8-10-23(11-9-22)25-21-37-14-6-7-26(30)28(38)31-12-4-2-3-5-13-32-29-33-19-24(25)27(37)34-29/h8-11,19,21,26H,2-7,12-18,20,30H2,1H3,(H,31,38)(H,32,33,34)/t26-/m0/s1
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| InChIKey |
VNERMGVCIRNEMM-SANMLTNESA-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