General Information of the Compound
| Compound ID |
CP0856907
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| Compound Name |
SID87336744
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| Formula |
C34H43ClN4O4
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| Molecular Weight |
607.195
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| Canonical SMILES |
C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C[C@@H]2C(=O)N1CCOCC1
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| InChI |
InChI=1S/C34H43ClN4O4/c1-33-27(32(42)38-6-8-43-9-7-38)13-23(14-29(40)36-19-34-16-20-10-21(17-34)12-22(11-20)18-34)31(41)39(33)5-4-25-26-15-24(35)2-3-28(26)37-30(25)33/h2-3,15,20-23,27,37H,4-14,16-19H2,1H3,(H,36,40)/t20-,21+,22-,23-,27-,33+,34?/m1/s1
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| InChIKey |
FKLFMHZCUIJFLB-ZFVPXQIESA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3